data/aroma_chemicals.jsonl

{"cas": "64-17-5", "name": "ethanol", "smiles": "CCO", "molecular_weight": 46.07, "boiling_point_k": 351.45, "vapor_pressure_pa": 7900.0, "odor_threshold_ug_m3": 250000.0, "logp": null, "unifac_groups": "{\"1\": 1, \"14\": 1, \"2\": 1}", "odor_description": null}
{"cas": "67-63-0", "name": "Isopropyl alcohol", "smiles": "CC(C)O", "molecular_weight": 60.1, "boiling_point_k": 355.5, "vapor_pressure_pa": 5700.0, "odor_threshold_ug_m3": 400000.0, "logp": null, "unifac_groups": "{\"1\": 2, \"3\": 1, \"81\": 1}", "odor_description": null}
{"cas": "25265-71-8", "name": "Dipropylenglykol", "smiles": "CC(CO)OC(C)CO.CC(COCC(C)O)O", "molecular_weight": 268.35, "boiling_point_k": 503.0, "vapor_pressure_pa": 1.0, "odor_threshold_ug_m3": 5000.0, "logp": null, "unifac_groups": "{\"1\": 4, \"14\": 2, \"2\": 3, \"25\": 1, \"26\": 1, \"3\": 3, \"81\": 2}", "odor_description": null}
{"cas": "120-51-4", "name": "BENZYL BENZOATE", "smiles": "C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2", "molecular_weight": 212.24, "boiling_point_k": 597.0, "vapor_pressure_pa": 0.02, "odor_threshold_ug_m3": 50.0, "logp": null, "unifac_groups": "{\"10\": 1, \"12\": 1, \"77\": 1, \"9\": 10}", "odor_description": null}
{"cas": "84-66-2", "name": "DIETHYL PHTHALATE", "smiles": "CCOC(=O)C1=CC=CC=C1C(=O)OCC", "molecular_weight": 222.24, "boiling_point_k": 568.0, "vapor_pressure_pa": 0.002, "odor_threshold_ug_m3": 100.0, "logp": null, "unifac_groups": "{\"1\": 2, \"10\": 2, \"2\": 2, \"77\": 2, \"9\": 4}", "odor_description": null}
{"cas": "5989-27-5", "name": "D-Limonene", "smiles": "CC1=CCC(CC1)C(=C)C", "molecular_weight": 136.23, "boiling_point_k": 449.15, "vapor_pressure_pa": 26.3978352, "odor_threshold_ug_m3": 30.0, "logp": null, "unifac_groups": "{\"1\": 2, \"7\": 1, \"78\": 3, \"79\": 1, \"8\": 1}", "odor_description": "citrus orange fresh sweet Luebke, William"}
{"cas": "138-86-3", "name": "1-methyl-4-prop-1-en-2-ylcyclohexene", "smiles": "CC1=CCC(CC1)C(=C)C", "molecular_weight": 136.23, "boiling_point_k": 449.0, "vapor_pressure_pa": 195.0, "odor_threshold_ug_m3": 30.0, "logp": null, "unifac_groups": "{\"1\": 2, \"7\": 1, \"78\": 3, \"79\": 1, \"8\": 1}", "odor_description": null}
{"cas": "106-24-1", "name": "GERANIOL", "smiles": "CC(=CCCC(=CCO)C)C", "molecular_weight": 154.25, "boiling_point_k": 502.65, "vapor_pressure_pa": 2.7997704, "odor_threshold_ug_m3": 10.0, "logp": null, "unifac_groups": "{\"1\": 3, \"14\": 1, \"2\": 3, \"8\": 2}", "odor_description": "sweet floral fruity rose waxy citrus Luebke, William"}
{"cas": "106-25-2", "name": "nerol", "smiles": "CC(=CCCC(=CCO)C)C", "molecular_weight": 154.25, "boiling_point_k": 502.65, "vapor_pressure_pa": 2.7997704, "odor_threshold_ug_m3": 10.0, "logp": null, "unifac_groups": "{\"1\": 3, \"14\": 1, \"2\": 3, \"8\": 2}", "odor_description": "sweet floral fruity rose waxy citrus Luebke, William"}
{"cas": "106-22-9", "name": "Citronellol", "smiles": "CC(CCC=C(C)C)CCO", "molecular_weight": 156.26, "boiling_point_k": 493.0, "vapor_pressure_pa": 1.0, "odor_threshold_ug_m3": 5.0, "logp": null, "unifac_groups": "{\"1\": 3, \"14\": 1, \"2\": 4, \"3\": 1, \"8\": 1}", "odor_description": null}
{"cas": "624-15-7", "name": "GERANIOL", "smiles": "CC(=CCCC(=CCO)C)C", "molecular_weight": 154.25, "boiling_point_k": 503.0, "vapor_pressure_pa": 1.5, "odor_threshold_ug_m3": 10.0, "logp": null, "unifac_groups": "{\"1\": 3, \"14\": 1, \"2\": 3, \"8\": 2}", "odor_description": null}
{"cas": "99-85-4", "name": "GAMMA-TERPINENE", "smiles": "CC1=CCC(=CC1)C(C)C", "molecular_weight": 136.23, "boiling_point_k": 455.15, "vapor_pressure_pa": 143.32157999999998, "odor_threshold_ug_m3": 50.0, "logp": null, "unifac_groups": "{\"1\": 3, \"3\": 1, \"78\": 2, \"8\": 2}", "odor_description": "at 10.00 % in dipropylene glycol. oily woody terpene lemon/lime tropical herbal Luebke, William"}
{"cas": "93-58-3", "name": "METHYL BENZOATE", "smiles": "COC(=O)C1=CC=CC=C1", "molecular_weight": 136.15, "boiling_point_k": 472.0, "vapor_pressure_pa": 14.0, "odor_threshold_ug_m3": 10.0, "logp": null, "unifac_groups": "{\"1\": 1, \"10\": 1, \"77\": 1, \"9\": 5}", "odor_description": null}
{"cas": "115-95-7", "name": "LINALYL ACETATE", "smiles": "CC(=CCCC(C)(C=C)OC(=O)C)C", "molecular_weight": 196.29, "boiling_point_k": 529.65, "vapor_pressure_pa": 1.9998359999999997, "odor_threshold_ug_m3": 1.0, "logp": null, "unifac_groups": "{\"1\": 3, \"2\": 2, \"21\": 1, \"4\": 1, \"5\": 1, \"8\": 1}", "odor_description": "citrus bergamot lavender floral woody nutmeg Luebke, William"}
{"cas": "105-87-3", "name": "GERANYL ACETATE", "smiles": "CC(=CCCC(=CCOC(=O)C)C)C", "molecular_weight": 196.29, "boiling_point_k": 493.0, "vapor_pressure_pa": 1.0, "odor_threshold_ug_m3": 5.0, "logp": null, "unifac_groups": "{\"1\": 3, \"2\": 3, \"21\": 1, \"8\": 2}", "odor_description": null}
{"cas": "150-84-5", "name": "Citronellyl acetate", "smiles": "CC(CCC=C(C)C)CCOC(=O)C", "molecular_weight": 198.3, "boiling_point_k": 493.0, "vapor_pressure_pa": 1.0, "odor_threshold_ug_m3": 5.0, "logp": null, "unifac_groups": "{\"1\": 3, \"2\": 4, \"21\": 1, \"3\": 1, \"8\": 1}", "odor_description": null}
{"cas": "140-11-4", "name": "BENZYL ACETATE", "smiles": "CC(=O)OCC1=CC=CC=C1", "molecular_weight": 150.17, "boiling_point_k": 486.65, "vapor_pressure_pa": 23.598064799999996, "odor_threshold_ug_m3": 10.0, "logp": null, "unifac_groups": "{\"12\": 1, \"21\": 1, \"9\": 5}", "odor_description": "sweet floral fruity jasmin fresh Luebke, William"}
{"cas": "103-45-7", "name": "Phenethyl acetate", "smiles": "CC(=O)OCCC1=CC=CC=C1", "molecular_weight": 164.2, "boiling_point_k": 499.0, "vapor_pressure_pa": 0.5, "odor_threshold_ug_m3": 5.0, "logp": null, "unifac_groups": "{\"12\": 1, \"2\": 1, \"21\": 1, \"9\": 5}", "odor_description": null}
{"cas": "78-70-6", "name": "Linalool", "smiles": "CC(=CCCC(C)(C=C)O)C", "molecular_weight": 154.25, "boiling_point_k": 468.65, "vapor_pressure_pa": 2.1331583999999997, "odor_threshold_ug_m3": 6.0, "logp": null, "unifac_groups": "{\"1\": 3, \"2\": 2, \"4\": 1, \"5\": 1, \"8\": 1, \"82\": 1}", "odor_description": "citrus floral sweet bois de rose woody green blueberry Luebke, William"}
{"cas": "60-12-8", "name": "2-PHENYLETHANOL", "smiles": "C1=CC=C(C=C1)CCO", "molecular_weight": 122.16, "boiling_point_k": 488.0, "vapor_pressure_pa": 3.0, "odor_threshold_ug_m3": 10.0, "logp": null, "unifac_groups": "{\"12\": 1, \"14\": 1, \"2\": 1, \"9\": 5}", "odor_description": null}
{"cas": "100-51-6", "name": "benzyl alcohol", "smiles": "C1=CC=C(C=C1)CO", "molecular_weight": 108.14, "boiling_point_k": 478.0, "vapor_pressure_pa": 5.0, "odor_threshold_ug_m3": 20.0, "logp": null, "unifac_groups": "{\"12\": 1, \"14\": 1, \"9\": 5}", "odor_description": null}
{"cas": "104-54-1", "name": "cinnamyl alcohol", "smiles": "C1=CC=C(C=C1)C=CCO", "molecular_weight": 134.17, "boiling_point_k": 516.0, "vapor_pressure_pa": 1.0, "odor_threshold_ug_m3": 10.0, "logp": null, "unifac_groups": "{\"10\": 1, \"14\": 1, \"2\": 1, \"6\": 1, \"9\": 5}", "odor_description": null}
{"cas": "24851-98-7", "name": "Methyl dihydrojasmonate", "smiles": "CCCCCC1C(CCC1=O)CC(=O)OC", "molecular_weight": 226.31, "boiling_point_k": 383.65, "vapor_pressure_pa": 0.13332239999999998, "odor_threshold_ug_m3": 1.0, "logp": null, "unifac_groups": "{\"1\": 2, \"19\": 1, \"2\": 4, \"22\": 1, \"78\": 1, \"79\": 2}", "odor_description": "floral oily jasmin green lactonic tropical natural Luebke, William"}
{"cas": "127-41-3", "name": "ALPHA-IONONE", "smiles": "CC1=CCCC(C1C=CC(=O)C)(C)C", "molecular_weight": 192.3, "boiling_point_k": 518.0, "vapor_pressure_pa": 0.2, "odor_threshold_ug_m3": 0.5, "logp": null, "unifac_groups": "{\"1\": 3, \"18\": 1, \"6\": 1, \"78\": 2, \"79\": 1, \"8\": 1, \"80\": 1}", "odor_description": null}
{"cas": "14901-07-6", "name": "14901-07-6", "smiles": "CC1=C(C(CCC1)(C)C)C=CC(=O)C", "molecular_weight": 192.3, "boiling_point_k": 400.15, "vapor_pressure_pa": 2.2664808, "odor_threshold_ug_m3": 0.5, "logp": null, "unifac_groups": "{\"1\": 3, \"18\": 1, \"6\": 1, \"70\": 1, \"78\": 3, \"80\": 1}", "odor_description": "at 10.00 % in dipropylene glycol. floral woody sweet fruity berry tropical beeswax Luebke, William"}
{"cas": "127-51-5", "name": "3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one", "smiles": "CC1=CCCC(C1C=C(C)C(=O)C)(C)C", "molecular_weight": 206.32, "boiling_point_k": 349.15, "vapor_pressure_pa": 0.7999343999999999, "odor_threshold_ug_m3": 0.3, "logp": null, "unifac_groups": "{\"1\": 4, \"18\": 1, \"78\": 2, \"79\": 1, \"8\": 2, \"80\": 1}", "odor_description": "at 10.00 % in dipropylene glycol. violet sweet orris powdery floral woody Luebke, William"}
{"cas": "1335-46-2", "name": "Ionone, methyl-", "smiles": "CCC(=O)C=CC1C(=CCCC1(C)C)C", "molecular_weight": 206.32, "boiling_point_k": 523.0, "vapor_pressure_pa": 0.1, "odor_threshold_ug_m3": 0.3, "logp": null, "unifac_groups": "{\"1\": 4, \"19\": 1, \"6\": 1, \"78\": 2, \"79\": 1, \"8\": 1, \"80\": 1}", "odor_description": null}
{"cas": "43052-87-5", "name": "DTXSID90880772", "smiles": "CC1=CCCC(C1C(=O)CC=C)(C)C", "molecular_weight": 192.3, "boiling_point_k": 533.0, "vapor_pressure_pa": 0.05, "odor_threshold_ug_m3": 0.1, "logp": null, "unifac_groups": "{\"1\": 3, \"19\": 1, \"5\": 1, \"78\": 2, \"79\": 1, \"8\": 1, \"80\": 1}", "odor_description": null}
{"cas": "706-14-9", "name": "gamma-Decalactone", "smiles": "CCCCCCC1CCC(=O)O1", "molecular_weight": 170.25, "boiling_point_k": 450.0, "vapor_pressure_pa": 1.0, "odor_threshold_ug_m3": 5.0, "logp": null, "unifac_groups": "{\"1\": 1, \"2\": 5, \"22\": 1, \"78\": 1, \"79\": 1}", "odor_description": null}
{"cas": "713-95-1", "name": "DELTA-DODECALACTONE", "smiles": "CCCCCCCC1CCCC(=O)O1", "molecular_weight": 198.3, "boiling_point_k": 478.0, "vapor_pressure_pa": 0.2, "odor_threshold_ug_m3": 1.0, "logp": null, "unifac_groups": "{\"1\": 1, \"2\": 6, \"22\": 1, \"78\": 2, \"79\": 1}", "odor_description": null}
{"cas": "1222-05-5", "name": "Galaxolide", "smiles": "CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C", "molecular_weight": 258.4, "boiling_point_k": 599.45, "vapor_pressure_pa": 0.05519547359999999, "odor_threshold_ug_m3": 0.1, "logp": null, "unifac_groups": "{\"1\": 6, \"10\": 4, \"78\": 1, \"79\": 2, \"80\": 2, \"83\": 1, \"9\": 2}", "odor_description": "strong diffusive sweet floral musk Odor and/or flavor descriptions from others (if found). IFF Galaxolide ® Undiluted Odor Description: A clean, powerful and versatile iso-chroman musk having exceptional persistence and a superb fragrance quality approaching the tone of macrocyclic musks Cosmetic Information: CosIng: cosmetic data Cosmetic Uses: fragrance perfuming agents Suppliers: Agan Aroma and Fine Chemicals Astromusk Concentrate Odor: Powerful, clean, Persistent Musk Associate Allied Chemicals Galaxolide Neat About Augustus Oils Galaxolide 100% Services Azelis UK GALAXOLIDE UNDILUTED Beijing Lys Chemicals Galaxolide Berjé products/aromatic-chemicals/musk-ny-musk-144type/ Media Creatingperfume.com Galaxolide (IFF) ECSA Chemicals MUSK G PURE ECSA TRADE THE MOST UPDATED FINANCIAL PUBLICATION ON THE WORLD OF CHEMISTRY Ernesto Ventós GALAXOLIDE UNDILUTED IFF Odor: POWERFUL, CLEAN MUSK Ernesto Ventós MUSK G Fine Fragrances Pvt Ltd Galaxolide Pure IFF Galaxolide ® Undiluted Odor: A clean, powerful and versatile iso-chroman musk having exceptional persistence and a superb fragrance quality approaching the tone of macrocyclic musks Indenta Group Galaxolide Indukern F&F GALAXOLIDE PURE Odor: MUSK, SWEET, FLORAL Jiangyin Healthway Galaxolide New functional food ingredients K.L. Koh Enterprise MUSK G PURE Kun Shan P&A Galaxolide Undiluted Lluch Essence ASTROLIDE PURE M&U International Abbalide M&U International Galaxolide PURE M&U International Galaxolide Undiluted Moellhausen MUSK S PURE OQEMA Musk Concentrate PCW France Musc pure Steps to a fragranced product Penta International GALAXOLIDE PURE PerfumersWorld Galaxolide Odor: strong diffusive sweet floral musk powerful clean Use: Blends-well-with - +Decanal Topnote Pusher +Cyclamen Aldehyde +Nonanal Topnote Pusher +Lilial +Benzyl Salicylate Balsams Phoenix Aromas & Essential Oils Musk G Primechem Galaxolide Reincke & Fichtner Hexahydro-4,6,6,7,8,8-hexamethylcyclopenta-gamma-2-benzopyran SRS Aromatics MUSK G (PURE) The John D. Walsh Company Galaxolide NEAT sds The Lermond Company MUSK G NEAT Vigon International Musk G Neat Odor: PERSISTENT, POWERFUL MUSK Zanos Astromusk Concentrate Odor: Powerful, clean, , persistent musk Safety Information: European information : Most important hazard(s): Xi N - Irritant, Dangerous for the environment. R 38 - Irritating to skin. R 50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 24 - Avoid contact with skin. S 36 - Wear suitable protective clothing. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet. Hazards identification Classification of the substance or mixture GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) Acute aquatic toxicity (Category 1), H400 Chronic aquatic toxicity (Category 1), H410 GHS Label elements, including precautionary statements Pictogram Signal word Warning Hazard statement(s) H400 - Very toxic to aquatic life H410 - Very toxic to aquatic life with long lasting effects Precautionary statement(s) P273 - Avoid release to the environment. P391 - Collect spillage. Hazardous to the aquatic environment P501 - Dispose of contents/ container to an approved waste disposal plant. Oral/Parenteral Toxicity: oral-rat LDLo"}
{"cas": "21145-77-7", "name": "Tonalide", "smiles": "CC1CC(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)(C)C", "molecular_weight": 258.4, "boiling_point_k": 666.15, "vapor_pressure_pa": 0.0037330271999999995, "odor_threshold_ug_m3": 0.05, "logp": null, "unifac_groups": "{\"1\": 5, \"10\": 3, \"11\": 1, \"18\": 1, \"78\": 1, \"79\": 1, \"80\": 2, \"9\": 2}", "odor_description": "at 10.00 % in isopropyl myristate. strong sweet amber ambrette fruity musk powdery Luebke, William"}
{"cas": "6790-58-5", "name": "(-)-Ambroxide", "smiles": "CC1(CCCC2(C1CCC3(C2CCO3)C)C)C", "molecular_weight": 236.39, "boiling_point_k": 573.0, "vapor_pressure_pa": 0.01, "odor_threshold_ug_m3": 0.02, "logp": null, "unifac_groups": "{\"1\": 4, \"78\": 6, \"79\": 2, \"80\": 3, \"83\": 1}", "odor_description": null}
{"cas": "54464-57-2", "name": "1-(1,2,3,4,5,6,7,8-Octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)ethanone", "smiles": "CC1CC2=C(CC1(C)C(=O)C)C(CCC2)(C)C", "molecular_weight": 234.38, "boiling_point_k": 573.0, "vapor_pressure_pa": 0.01, "odor_threshold_ug_m3": 0.05, "logp": null, "unifac_groups": "{\"1\": 4, \"18\": 1, \"70\": 1, \"78\": 5, \"79\": 1, \"80\": 2}", "odor_description": null}
{"cas": "81-14-1", "name": "MUSK KETONE", "smiles": "CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C(=O)C", "molecular_weight": 294.3, "boiling_point_k": 613.0, "vapor_pressure_pa": 0.004, "odor_threshold_ug_m3": 0.02, "logp": null, "unifac_groups": "{\"1\": 3, \"10\": 2, \"11\": 2, \"18\": 1, \"4\": 1, \"57\": 2}", "odor_description": null}
{"cas": "81-15-2", "name": "Musk xylene", "smiles": "CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-]", "molecular_weight": 297.26, "boiling_point_k": 603.0, "vapor_pressure_pa": 0.001, "odor_threshold_ug_m3": 0.05, "logp": null, "unifac_groups": "{\"1\": 3, \"10\": 1, \"11\": 2, \"4\": 1, \"57\": 3}", "odor_description": null}
{"cas": "105-95-3", "name": "Ethylene brassylate", "smiles": "C1CCCCCC(=O)OCCOC(=O)CCCCC1", "molecular_weight": 270.36, "boiling_point_k": 413.15, "vapor_pressure_pa": 0.003, "odor_threshold_ug_m3": 0.02, "logp": null, "unifac_groups": "{\"22\": 2, \"78\": 11}", "odor_description": "powdery sweet floral ambrette musk woody Luebke, William"}
{"cas": "541-91-3", "name": "3-Methylcyclopentadecanone", "smiles": "CC1CCCCCCCCCCCCC(=O)C1", "molecular_weight": 238.41, "boiling_point_k": 600.0, "vapor_pressure_pa": 0.02, "odor_threshold_ug_m3": 0.05, "logp": null, "unifac_groups": "{\"1\": 1, \"19\": 1, \"78\": 12, \"79\": 1}", "odor_description": null}
{"cas": "83-66-9", "name": "MUSK AMBRETTE", "smiles": "CC1=C(C=C(C(=C1[N+](=O)[O-])OC)C(C)(C)C)[N+](=O)[O-]", "molecular_weight": 268.27, "boiling_point_k": 583.0, "vapor_pressure_pa": 0.001, "odor_threshold_ug_m3": 0.05, "logp": null, "unifac_groups": "{\"1\": 3, \"10\": 2, \"11\": 1, \"24\": 1, \"4\": 1, \"57\": 2, \"9\": 1}", "odor_description": null}
{"cas": "77-53-2", "name": "Cedrol", "smiles": "CC1CCC2C13CCC(C(C3)C2(C)C)(C)O", "molecular_weight": 222.37, "boiling_point_k": 559.15, "vapor_pressure_pa": 0.13332239999999998, "odor_threshold_ug_m3": 1.0, "logp": null, "unifac_groups": "{\"1\": 4, \"78\": 5, \"79\": 3, \"80\": 3, \"82\": 1}", "odor_description": "cedarwood woody dry sweet soft Luebke, William"}
{"cas": "77-42-9", "name": "beta-SANTALOL", "smiles": "CC(=CCCC1(C2CCC(C2)C1=C)C)CO", "molecular_weight": 220.35, "boiling_point_k": 553.0, "vapor_pressure_pa": 0.3, "odor_threshold_ug_m3": 1.0, "logp": null, "unifac_groups": "{\"1\": 2, \"14\": 1, \"2\": 3, \"7\": 1, \"78\": 3, \"79\": 2, \"8\": 1, \"80\": 1}", "odor_description": null}
{"cas": "19870-74-7", "name": "19870-74-7", "smiles": "CC1CCC2C13CCC(C(C3)C2(C)C)(C)OC", "molecular_weight": 236.39, "boiling_point_k": 563.0, "vapor_pressure_pa": 0.05, "odor_threshold_ug_m3": 0.5, "logp": null, "unifac_groups": "{\"1\": 4, \"24\": 1, \"78\": 5, \"79\": 3, \"80\": 3}", "odor_description": null}
{"cas": "32388-55-9", "name": "Acetyl cedrene", "smiles": "CC1CCC2C13CC(C2(C)C)C(=C(C3)C(=O)C)C", "molecular_weight": 246.4, "boiling_point_k": 563.0, "vapor_pressure_pa": 0.05, "odor_threshold_ug_m3": 0.5, "logp": null, "unifac_groups": "{\"1\": 4, \"18\": 1, \"70\": 1, \"78\": 4, \"79\": 3, \"80\": 2}", "odor_description": null}
{"cas": "33704-61-9", "name": "Cashmeran", "smiles": "CC1C(C2=C(C1(C)C)C(=O)CCC2)(C)C", "molecular_weight": 206.32, "boiling_point_k": 558.65, "vapor_pressure_pa": 0.39996719999999997, "odor_threshold_ug_m3": 0.2, "logp": null, "unifac_groups": "{\"1\": 5, \"19\": 1, \"70\": 1, \"78\": 2, \"79\": 1, \"80\": 2}", "odor_description": "at 10.00 % in dipropylene glycol. rich spicy musk woody clean Luebke, William"}
{"cas": "115-71-9", "name": "ALPHA-SANTALOL", "smiles": "CC(=CCCC1(C2CC3C1(C3C2)C)C)CO", "molecular_weight": 220.35, "boiling_point_k": 477.0, "vapor_pressure_pa": 1.5, "odor_threshold_ug_m3": 5.0, "logp": null, "unifac_groups": "{\"1\": 3, \"14\": 1, \"2\": 3, \"78\": 2, \"79\": 3, \"8\": 1, \"80\": 2}", "odor_description": null}
{"cas": "87-44-5", "name": "BETA-CARYOPHYLLENE", "smiles": "CC1=CCCC(=C)C2CC(C2CC1)(C)C", "molecular_weight": 204.35, "boiling_point_k": 530.65, "vapor_pressure_pa": 1.7331911999999998, "odor_threshold_ug_m3": 10.0, "logp": null, "unifac_groups": "{\"1\": 3, \"7\": 1, \"78\": 5, \"79\": 2, \"8\": 1, \"80\": 1}", "odor_description": "sweet woody spice clove dry Luebke, William"}
{"cas": "97-53-0", "name": "eugenol", "smiles": "COC1=C(C=CC(=C1)CC=C)O", "molecular_weight": 164.2, "boiling_point_k": 525.65, "vapor_pressure_pa": 1.333224, "odor_threshold_ug_m3": 5.0, "logp": null, "unifac_groups": "{\"10\": 1, \"12\": 1, \"17\": 1, \"24\": 1, \"5\": 1, \"9\": 3}", "odor_description": "Sweet, spicy, clove like, woody, with phenolic savory ham and bacon notes and cinnamon and allspice nuances Mosciano, Gerard P&F 26, No. 3, 80, (2001) Flavor Type: spicy spicy clove allspice aromatic phenolic woody oriental Taste Description: spicy clove allspice aromatic phenolic woody oriental Luebke, William"}
{"cas": "97-54-1", "name": "Isoeugenol", "smiles": "CC=CC1=CC(=C(C=C1)O)OC", "molecular_weight": 164.2, "boiling_point_k": 543.0, "vapor_pressure_pa": 0.5, "odor_threshold_ug_m3": 1.0, "logp": null, "unifac_groups": "{\"1\": 1, \"10\": 2, \"17\": 1, \"24\": 1, \"6\": 1, \"9\": 3}", "odor_description": null}
{"cas": "118-58-1", "name": "BENZYL SALICYLATE", "smiles": "C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O", "molecular_weight": 228.24, "boiling_point_k": 481.15, "vapor_pressure_pa": 0.022664807999999998, "odor_threshold_ug_m3": 5.0, "logp": null, "unifac_groups": "{\"10\": 1, \"12\": 1, \"17\": 1, \"77\": 1, \"9\": 9}", "odor_description": "balsam clean herbal oily sweet Luebke, William"}
{"cas": "90-05-1", "name": "guaiacol", "smiles": "COC1=CC=CC=C1O", "molecular_weight": 124.14, "boiling_point_k": 477.0, "vapor_pressure_pa": 5.0, "odor_threshold_ug_m3": 10.0, "logp": null, "unifac_groups": "{\"10\": 1, \"17\": 1, \"24\": 1, \"9\": 4}", "odor_description": null}
{"cas": "134-20-3", "name": "METHYL ANTHRANILATE", "smiles": "COC(=O)C1=CC=CC=C1N", "molecular_weight": 151.16, "boiling_point_k": 546.0, "vapor_pressure_pa": 0.05, "odor_threshold_ug_m3": 0.5, "logp": null, "unifac_groups": "{\"1\": 1, \"10\": 1, \"36\": 1, \"77\": 1, \"9\": 4}", "odor_description": null}
{"cas": "103-82-2", "name": "PHENYLACETIC ACID", "smiles": "C1=CC=C(C=C1)CC(=O)O", "molecular_weight": 136.15, "boiling_point_k": 553.0, "vapor_pressure_pa": 0.05, "odor_threshold_ug_m3": 1.0, "logp": null, "unifac_groups": "{\"12\": 1, \"42\": 1, \"9\": 5}", "odor_description": null}
{"cas": "76-22-2", "name": "camphor", "smiles": "CC1(C2CCC1(C(=O)C2)C)C", "molecular_weight": 152.23, "boiling_point_k": 481.0, "vapor_pressure_pa": 10.0, "odor_threshold_ug_m3": 50.0, "logp": null, "unifac_groups": "{\"1\": 3, \"19\": 1, \"78\": 2, \"79\": 1, \"80\": 2}", "odor_description": null}
{"cas": "2216-51-5", "name": "l-Menthol", "smiles": "CC1CCC(C(C1)O)C(C)C", "molecular_weight": 156.26, "boiling_point_k": 489.0, "vapor_pressure_pa": 5.0, "odor_threshold_ug_m3": 50.0, "logp": null, "unifac_groups": "{\"1\": 3, \"3\": 1, \"78\": 3, \"79\": 3, \"81\": 1}", "odor_description": null}
{"cas": "16409-43-1", "name": "16409-43-1", "smiles": "CC1CCOC(C1)C=C(C)C", "molecular_weight": 154.25, "boiling_point_k": 359.15, "vapor_pressure_pa": 73.4606424, "odor_threshold_ug_m3": 5.0, "logp": null, "unifac_groups": "{\"1\": 3, \"26\": 1, \"78\": 3, \"79\": 1, \"8\": 1}", "odor_description": "at 1.00 % in dipropylene glycol. green red rose spicy fresh geranium Luebke, William"}
{"cas": "6259-76-3", "name": "Hexyl salicylate", "smiles": "CCCCCCOC(=O)C1=CC=CC=C1O", "molecular_weight": 222.28, "boiling_point_k": 533.0, "vapor_pressure_pa": 0.05, "odor_threshold_ug_m3": 5.0, "logp": null, "unifac_groups": "{\"1\": 1, \"10\": 1, \"17\": 1, \"2\": 5, \"77\": 1, \"9\": 4}", "odor_description": null}
{"cas": "4602-84-0", "name": "farnesol", "smiles": "CC(=CCCC(=CCCC(=CCO)C)C)C", "molecular_weight": 222.37, "boiling_point_k": 556.65, "vapor_pressure_pa": 0.04932928799999999, "odor_threshold_ug_m3": 0.5, "logp": null, "unifac_groups": "{\"1\": 4, \"14\": 1, \"2\": 5, \"8\": 3}", "odor_description": ""}
{"cas": "7212-44-4", "name": "NEROLIDOL", "smiles": "CC(=CCCC(=CCCC(C)(C=C)O)C)C", "molecular_weight": 222.37, "boiling_point_k": 387.15, "vapor_pressure_pa": 0.13332239999999998, "odor_threshold_ug_m3": 0.5, "logp": null, "unifac_groups": "{\"1\": 4, \"2\": 4, \"4\": 1, \"5\": 1, \"8\": 2, \"82\": 1}", "odor_description": "floral green waxy citrus woody Luebke, William"}
{"cas": "515-69-5", "name": "Bisabolol", "smiles": "CC1=CCC(CC1)C(C)(CCC=C(C)C)O", "molecular_weight": 222.37, "boiling_point_k": 543.0, "vapor_pressure_pa": 0.001, "odor_threshold_ug_m3": 0.5, "logp": null, "unifac_groups": "{\"1\": 4, \"2\": 2, \"4\": 1, \"78\": 3, \"79\": 1, \"8\": 2, \"82\": 1}", "odor_description": null}
{"cas": "5986-55-0", "name": "Patchouli alcohol", "smiles": "CC1CCC2(C(C3CCC2(C1C3)C)(C)C)O", "molecular_weight": 222.37, "boiling_point_k": 543.0, "vapor_pressure_pa": 0.001, "odor_threshold_ug_m3": 0.5, "logp": null, "unifac_groups": "{\"1\": 4, \"78\": 5, \"79\": 3, \"80\": 3, \"82\": 1}", "odor_description": null}
{"cas": "515-03-7", "name": "Sclareol", "smiles": "CC1(CCCC2(C1CCC(C2CCC(C)(C=C)O)(C)O)C)C", "molecular_weight": 308.5, "boiling_point_k": 543.0, "vapor_pressure_pa": 0.001, "odor_threshold_ug_m3": 0.5, "logp": null, "unifac_groups": "{\"1\": 5, \"2\": 2, \"4\": 1, \"5\": 1, \"78\": 5, \"79\": 2, \"80\": 3, \"82\": 2}", "odor_description": null}
{"cas": "7779-50-2", "name": "1-oxacycloheptadec-7-en-2-one", "smiles": "C1CCCCC=CCCCCC(=O)OCCCC1", "molecular_weight": 252.39, "boiling_point_k": 573.0, "vapor_pressure_pa": 0.001, "odor_threshold_ug_m3": 0.5, "logp": null, "unifac_groups": "{\"22\": 1, \"6\": 1, \"78\": 12}", "odor_description": null}
{"cas": "104-67-6", "name": "Gamma-undecalactone", "smiles": "CCCCCCCC1CCC(=O)O1", "molecular_weight": 184.27, "boiling_point_k": 438.15, "vapor_pressure_pa": 0.39996719999999997, "odor_threshold_ug_m3": 1.0, "logp": null, "unifac_groups": "{\"1\": 1, \"2\": 6, \"22\": 1, \"78\": 1, \"79\": 1}", "odor_description": "fruity peach creamy fatty lactonic apricot ketonic coconut Luebke, William"}
{"cas": "104-55-2", "name": "cinnamaldehyde", "smiles": "C1=CC=C(C=C1)C=CC=O", "molecular_weight": 132.16, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.8987, "unifac_groups": "{\"10\": 1, \"20\": 1, \"6\": 1, \"9\": 5}", "odor_description": null}
{"cas": "816-66-0", "name": "4-methyl-2-oxopentanoic acid", "smiles": "CC(C)CC(=O)C(=O)O", "molecular_weight": 130.143, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.6861999999999999, "unifac_groups": "{\"1\": 2, \"19\": 1, \"3\": 1, \"42\": 1}", "odor_description": null}
{"cas": "600-18-0", "name": "2-oxobutanoic acid", "smiles": "CCC(=O)C(=O)O", "molecular_weight": 102.08899999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.05009999999999998, "unifac_groups": "{\"1\": 1, \"19\": 1, \"42\": 1}", "odor_description": null}
{"cas": "328-50-7", "name": "2-Oxopentanedioic acid", "smiles": "O=C(O)CCC(=O)C(=O)O", "molecular_weight": 146.09799999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": -0.49509999999999993, "unifac_groups": "{\"19\": 1, \"2\": 1, \"42\": 2}", "odor_description": null}
{"cas": "SMILES:CC(CN)O", "name": "CC(CN)O", "smiles": "CC(O)CN", "molecular_weight": 75.11099999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": -0.6741, "unifac_groups": "{\"1\": 1, \"29\": 1, \"3\": 1, \"81\": 1}", "odor_description": null}
{"cas": "SMILES:C1=CC(=CC=C1CO)O", "name": "C1=CC(=CC=C1CO)O", "smiles": "OCc1ccc(O)cc1", "molecular_weight": 124.13899999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.8844999999999994, "unifac_groups": "{\"12\": 1, \"14\": 1, \"17\": 1, \"9\": 4}", "odor_description": null}
{"cas": "99-50-3", "name": "3,4-DIHYDROXYBENZOIC ACID", "smiles": "O=C(O)c1ccc(O)c(O)c1", "molecular_weight": 154.12099999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.7959999999999998, "unifac_groups": "{\"10\": 1, \"17\": 2, \"42\": 1, \"9\": 3}", "odor_description": null}
{"cas": "56-12-2", "name": "gamma-aminobutyric acid", "smiles": "NCCCC(=O)O", "molecular_weight": 103.12100000000001, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": -0.19009999999999982, "unifac_groups": "{\"2\": 2, \"29\": 1, \"42\": 1}", "odor_description": null}
{"cas": "501-52-0", "name": "hydrocinnamic acid", "smiles": "O=C(O)CCc1ccccc1", "molecular_weight": 150.177, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.7038, "unifac_groups": "{\"12\": 1, \"2\": 1, \"42\": 1, \"9\": 5}", "odor_description": null}
{"cas": "123-08-0", "name": "4-hydroxybenzaldehyde", "smiles": "O=Cc1ccc(O)cc1", "molecular_weight": 122.12299999999996, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.2046999999999997, "unifac_groups": "{\"10\": 1, \"17\": 1, \"20\": 1, \"9\": 4}", "odor_description": null}
{"cas": "64-19-7", "name": "acetic acid", "smiles": "CC(=O)O", "molecular_weight": 60.05200000000001, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.09089999999999993, "unifac_groups": "{\"1\": 1, \"42\": 1}", "odor_description": null}
{"cas": "60-35-5", "name": "acetamide", "smiles": "CC(N)=O", "molecular_weight": 59.068, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": -0.5084, "unifac_groups": "{\"1\": 1, \"91\": 1}", "odor_description": null}
{"cas": "99-96-7", "name": "4-HYDROXYBENZOIC ACID", "smiles": "O=C(O)c1ccc(O)cc1", "molecular_weight": 138.12199999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.0903999999999996, "unifac_groups": "{\"10\": 1, \"17\": 1, \"42\": 1, \"9\": 4}", "odor_description": null}
{"cas": "67-64-1", "name": "acetone", "smiles": "CC(C)=O", "molecular_weight": 58.08, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.5952999999999999, "unifac_groups": "{\"1\": 1, \"18\": 1}", "odor_description": null}
{"cas": "SMILES:C(CCC(=O)O)CC(=O)O", "name": "C(CCC(=O)O)CC(=O)O", "smiles": "O=C(O)CCCCC(=O)O", "molecular_weight": 146.142, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.716, "unifac_groups": "{\"2\": 4, \"42\": 2}", "odor_description": null}
{"cas": "SMILES:C(CN)C(=O)O", "name": "C(CN)C(=O)O", "smiles": "NCCC(=O)O", "molecular_weight": 89.09399999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": -0.5802, "unifac_groups": "{\"2\": 1, \"29\": 1, \"42\": 1}", "odor_description": null}
{"cas": "1132639-46-3", "name": "Pentopyranose", "smiles": "OC1COC(O)C(O)C1O", "molecular_weight": 150.13, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": -2.5823, "unifac_groups": "{\"14\": 1, \"79\": 4, \"81\": 3, \"83\": 1}", "odor_description": null}
{"cas": "513-86-0", "name": "acetoin", "smiles": "CC(=O)C(C)O", "molecular_weight": 88.106, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": -0.043800000000000006, "unifac_groups": "{\"1\": 1, \"18\": 1, \"3\": 1, \"81\": 1}", "odor_description": null}
{"cas": "100-52-7", "name": "benzaldehyde", "smiles": "O=Cc1ccccc1", "molecular_weight": 106.12399999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.4990999999999999, "unifac_groups": "{\"10\": 1, \"20\": 1, \"9\": 5}", "odor_description": null}
{"cas": "123-72-8", "name": "butyraldehyde", "smiles": "CCCC=O", "molecular_weight": 72.107, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.9854, "unifac_groups": "{\"1\": 1, \"2\": 2, \"20\": 1}", "odor_description": null}
{"cas": "65-85-0", "name": "benzoic acid", "smiles": "O=C(O)c1ccccc1", "molecular_weight": 122.12299999999996, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.3848, "unifac_groups": "{\"10\": 1, \"42\": 1, \"9\": 5}", "odor_description": null}
{"cas": "SMILES:CC(O)C(C)O", "name": "2,3-butanediol", "smiles": "CC(O)C(C)O", "molecular_weight": 90.12199999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": -0.252, "unifac_groups": "{\"1\": 2, \"3\": 2, \"81\": 2}", "odor_description": null}
{"cas": "SMILES:CCCCO", "name": "1-butanol", "smiles": "CCCCO", "molecular_weight": 74.12299999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.7787999999999999, "unifac_groups": "{\"1\": 1, \"14\": 1, \"2\": 3}", "odor_description": null}
{"cas": "SMILES:CCCC(=O)O", "name": "butyric acid", "smiles": "CCCC(=O)O", "molecular_weight": 88.10599999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.8711, "unifac_groups": "{\"1\": 1, \"2\": 2, \"42\": 1}", "odor_description": null}
{"cas": "SMILES:O=C(O)C=C(CC(=O)O)C(=O)O", "name": "aconitic acid", "smiles": "O=C(O)C=C(CC(=O)O)C(=O)O", "molecular_weight": 174.10799999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": -0.4433000000000001, "unifac_groups": "{\"2\": 1, \"42\": 3, \"8\": 1}", "odor_description": null}
{"cas": "SMILES:O=C(O)CC(O)(CC(=O)O)C(=O)O", "name": "citric acid", "smiles": "O=C(O)CC(O)(CC(=O)O)C(=O)O", "molecular_weight": 192.12300000000002, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": -1.2485, "unifac_groups": "{\"2\": 2, \"4\": 1, \"42\": 3, \"82\": 1}", "odor_description": null}
{"cas": "SMILES:CC(C)c1ccc(CO)cc1", "name": "4-isopropylbenzyl alcohol", "smiles": "CC(C)c1ccc(CO)cc1", "molecular_weight": 150.22099999999995, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.3023000000000002, "unifac_groups": "{\"1\": 2, \"12\": 1, \"13\": 1, \"14\": 1, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:CC(C)c1ccc(C=O)cc1", "name": "4-isopropylbenzaldehyde", "smiles": "CC(C)c1ccc(C=O)cc1", "molecular_weight": 148.20499999999996, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.6225000000000014, "unifac_groups": "{\"1\": 2, \"10\": 1, \"13\": 1, \"20\": 1, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:Cc1ccccc1O", "name": "o-cresol", "smiles": "Cc1ccccc1O", "molecular_weight": 108.13999999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.70062, "unifac_groups": "{\"11\": 1, \"17\": 1, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:C=Cc1ccc(O)c(OC)c1", "name": "2-methoxy-4-vinylphenol", "smiles": "C=Cc1ccc(O)c(OC)c1", "molecular_weight": 150.17699999999996, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.0438000000000005, "unifac_groups": "{\"10\": 2, \"17\": 1, \"24\": 1, \"5\": 1, \"9\": 3}", "odor_description": null}
{"cas": "SMILES:O=C(O)c1ccccc1O", "name": "salicylic acid", "smiles": "O=C(O)c1ccccc1O", "molecular_weight": 138.12199999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.0903999999999998, "unifac_groups": "{\"10\": 1, \"17\": 1, \"42\": 1, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:CCC=O", "name": "propionaldehyde", "smiles": "CCC=O", "molecular_weight": 58.08, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.5952999999999999, "unifac_groups": "{\"1\": 1, \"2\": 1, \"20\": 1}", "odor_description": null}
{"cas": "SMILES:Cc1cccc(O)c1", "name": "m-cresol", "smiles": "Cc1cccc(O)c1", "molecular_weight": 108.13999999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.7006199999999996, "unifac_groups": "{\"11\": 1, \"17\": 1, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:CCCCCCCC=O", "name": "octanal", "smiles": "CCCCCCCC=O", "molecular_weight": 128.215, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.5458000000000007, "unifac_groups": "{\"1\": 1, \"2\": 6, \"20\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCCCCC(=O)O", "name": "octanoic acid", "smiles": "CCCCCCCC(=O)O", "molecular_weight": 144.214, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.4314999999999998, "unifac_groups": "{\"1\": 1, \"2\": 6, \"42\": 1}", "odor_description": null}
{"cas": "SMILES:NC(CC(=O)O)C(=O)O", "name": "dl-aspartic acid", "smiles": "NC(CC(=O)O)C(=O)O", "molecular_weight": 133.103, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": -1.1269999999999998, "unifac_groups": "{\"2\": 1, \"30\": 1, \"42\": 2}", "odor_description": null}
{"cas": "SMILES:O=C(O)CC(O)C(=O)O", "name": "malic acid", "smiles": "O=C(O)CC(O)C(=O)O", "molecular_weight": 134.087, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": -1.0934000000000001, "unifac_groups": "{\"2\": 1, \"3\": 1, \"42\": 2, \"81\": 1}", "odor_description": null}
{"cas": "SMILES:CSCCC(=O)O", "name": "3-(methylthio)propionic acid", "smiles": "CSCCC(=O)O", "molecular_weight": 120.17299999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.8241, "unifac_groups": "{\"1\": 1, \"123\": 1, \"2\": 1, \"42\": 1}", "odor_description": null}
{"cas": "SMILES:O=C1CCc2ccccc2O1", "name": "dihydrocoumarin", "smiles": "O=C1CCc2ccccc2O1", "molecular_weight": 148.16099999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.5381999999999998, "unifac_groups": "{\"10\": 2, \"22\": 1, \"78\": 1, \"9\": 4}", "odor_description": null}
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{"cas": "SMILES:Oc1ccccc1", "name": "phenol", "smiles": "Oc1ccccc1", "molecular_weight": 94.11299999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.3921999999999997, "unifac_groups": "{\"17\": 1, \"9\": 5}", "odor_description": null}
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{"cas": "SMILES:O=CCc1ccccc1", "name": "phenylacetaldehyde", "smiles": "O=CCc1ccccc1", "molecular_weight": 120.15099999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.428, "unifac_groups": "{\"12\": 1, \"20\": 1, \"9\": 5}", "odor_description": null}
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{"cas": "SMILES:CCCO", "name": "1-propanol", "smiles": "CCCO", "molecular_weight": 60.096, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.3887, "unifac_groups": "{\"1\": 1, \"14\": 1, \"2\": 2}", "odor_description": null}
{"cas": "SMILES:CCC(=O)O", "name": "propionic acid", "smiles": "CCC(=O)O", "molecular_weight": 74.079, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.481, "unifac_groups": "{\"1\": 1, \"2\": 1, \"42\": 1}", "odor_description": null}
{"cas": "SMILES:c1ccncc1", "name": "pyridine", "smiles": "c1ccncc1", "molecular_weight": 79.10199999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.0816, "unifac_groups": "{\"37\": 1, \"9\": 3}", "odor_description": null}
{"cas": "SMILES:NCCCCN", "name": "putrescine", "smiles": "NCCCCN", "molecular_weight": 88.15400000000001, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": -0.31599999999999956, "unifac_groups": "{\"2\": 2, \"29\": 2}", "odor_description": null}
{"cas": "SMILES:CSC", "name": "dimethyl sulfide", "smiles": "CSC", "molecular_weight": 62.137, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.9792, "unifac_groups": "{\"1\": 1, \"122\": 1}", "odor_description": null}
{"cas": "SMILES:CC(=O)C(=O)O", "name": "pyruvic acid", "smiles": "CC(=O)C(=O)O", "molecular_weight": 88.06199999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": -0.34000000000000014, "unifac_groups": "{\"18\": 1, \"42\": 1}", "odor_description": null}
{"cas": "SMILES:O=C(O)CCC(=O)O", "name": "succinic acid", "smiles": "O=C(O)CCC(=O)O", "molecular_weight": 118.08799999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": -0.06420000000000015, "unifac_groups": "{\"2\": 2, \"42\": 2}", "odor_description": null}
{"cas": "SMILES:CNCC(=O)O", "name": "sarcosine", "smiles": "CNCC(=O)O", "molecular_weight": 89.09399999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": -0.7096000000000002, "unifac_groups": "{\"1\": 1, \"32\": 1, \"42\": 1}", "odor_description": null}
{"cas": "SMILES:C1CCSC1", "name": "tetrahydrothiophene", "smiles": "C1CCSC1", "molecular_weight": 88.175, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.5133999999999999, "unifac_groups": "{\"123\": 1, \"78\": 3}", "odor_description": null}
{"cas": "SMILES:Cc1ccccc1", "name": "toluene", "smiles": "Cc1ccccc1", "molecular_weight": 92.14099999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.99502, "unifac_groups": "{\"11\": 1, \"9\": 5}", "odor_description": null}
{"cas": "SMILES:CN(C)C", "name": "trimethylamine", "smiles": "CN(C)C", "molecular_weight": 59.111999999999995, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.17779999999999996, "unifac_groups": "{\"1\": 2, \"34\": 1}", "odor_description": null}
{"cas": "SMILES:CC(C)C(N)C(=O)O", "name": "dl-valine", "smiles": "CC(C)C(N)C(=O)O", "molecular_weight": 117.148, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.05430000000000007, "unifac_groups": "{\"1\": 2, \"3\": 1, \"30\": 1, \"42\": 1}", "odor_description": null}
{"cas": "SMILES:CC1CCCC2(C)CCCCC12O", "name": "octahydro-4,8a-dimethyl-4a(2h)-naphthol", "smiles": "CC1CCCC2(C)CCCCC12O", "molecular_weight": 182.307, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.1178000000000017, "unifac_groups": "{\"1\": 2, \"78\": 7, \"79\": 1, \"80\": 2, \"82\": 1}", "odor_description": null}
{"cas": "SMILES:COc1cc(C=O)ccc1O", "name": "vanillin", "smiles": "COc1cc(C=O)ccc1O", "molecular_weight": 152.14899999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.2133, "unifac_groups": "{\"10\": 2, \"17\": 1, \"20\": 1, \"24\": 1, \"9\": 3}", "odor_description": null}
{"cas": "SMILES:CCCCCCCCCCCCCCCCO", "name": "1-hexadecanol", "smiles": "CCCCCCCCCCCCCCCCO", "molecular_weight": 242.44699999999992, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 5.460000000000006, "unifac_groups": "{\"1\": 1, \"14\": 1, \"2\": 15}", "odor_description": null}
{"cas": "SMILES:O=C(O)c1ccc(O)cc1O", "name": "2,4-dihydroxybenzoic acid", "smiles": "O=C(O)c1ccc(O)cc1O", "molecular_weight": 154.12099999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.7959999999999998, "unifac_groups": "{\"10\": 1, \"17\": 2, \"42\": 1, \"9\": 3}", "odor_description": null}
{"cas": "SMILES:COc1cc(C(C)=O)ccc1O", "name": "acetovanillone", "smiles": "COc1cc(C(C)=O)ccc1O", "molecular_weight": 166.17599999999996, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.6033999999999997, "unifac_groups": "{\"10\": 2, \"17\": 1, \"18\": 1, \"24\": 1, \"9\": 3}", "odor_description": null}
{"cas": "SMILES:Cc1ccc(O)cc1", "name": "p-cresol", "smiles": "Cc1ccc(O)cc1", "molecular_weight": 108.13999999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.7006199999999996, "unifac_groups": "{\"11\": 1, \"17\": 1, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:CCCCCCCCCC(=O)O", "name": "decanoic acid", "smiles": "CCCCCCCCCC(=O)O", "molecular_weight": 172.268, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.2117000000000013, "unifac_groups": "{\"1\": 1, \"2\": 8, \"42\": 1}", "odor_description": null}
{"cas": "SMILES:CCOCC", "name": "diethyl ether", "smiles": "CCOCC", "molecular_weight": 74.123, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.0428000000000002, "unifac_groups": "{\"1\": 2, \"2\": 1, \"25\": 1}", "odor_description": null}
{"cas": "SMILES:O=CCCCC=O", "name": "glutaraldehyde", "smiles": "O=CCCCC=O", "molecular_weight": 100.11699999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.5545, "unifac_groups": "{\"2\": 3, \"20\": 2}", "odor_description": null}
{"cas": "SMILES:CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1", "name": "nonivamide", "smiles": "CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1", "molecular_weight": 293.40700000000004, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.7676000000000025, "unifac_groups": "{\"1\": 1, \"10\": 2, \"100\": 1, \"17\": 1, \"2\": 7, \"24\": 1, \"9\": 3}", "odor_description": null}
{"cas": "SMILES:CCCCOC(=O)c1ccccc1C(=O)OCCCC", "name": "dibutyl phthalate", "smiles": "CCCCOC(=O)c1ccccc1C(=O)OCCCC", "molecular_weight": 278.348, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.600400000000003, "unifac_groups": "{\"1\": 2, \"10\": 2, \"2\": 6, \"77\": 2, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:CCCCCCCCCCCC(=O)O", "name": "lauric acid", "smiles": "CCCCCCCCCCCC(=O)O", "molecular_weight": 200.32199999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.991900000000002, "unifac_groups": "{\"1\": 1, \"2\": 10, \"42\": 1}", "odor_description": null}
{"cas": "SMILES:COC(=O)c1ccccc1O", "name": "methyl salicylate", "smiles": "COC(=O)c1ccccc1O", "molecular_weight": 152.14899999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.1787999999999998, "unifac_groups": "{\"1\": 1, \"10\": 1, \"17\": 1, \"77\": 1, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:C1CNCCN1", "name": "piperazine", "smiles": "C1CNCCN1", "molecular_weight": 86.138, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": -0.8208, "unifac_groups": "{\"32\": 2, \"78\": 2}", "odor_description": null}
{"cas": "SMILES:O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O", "name": "phloretin", "smiles": "O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O", "molecular_weight": 274.272, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.3245000000000013, "unifac_groups": "{\"10\": 1, \"12\": 1, \"17\": 4, \"19\": 1, \"9\": 6}", "odor_description": null}
{"cas": "SMILES:CC(C)c1cccc(C(C)C)c1O", "name": "propofol", "smiles": "CC(C)c1cccc(C(C)C)c1O", "molecular_weight": 178.27499999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.6390000000000033, "unifac_groups": "{\"1\": 4, \"13\": 2, \"17\": 1, \"9\": 3}", "odor_description": null}
{"cas": "SMILES:Oc1cccc(O)c1", "name": "resorcinol", "smiles": "Oc1cccc(O)c1", "molecular_weight": 110.11199999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.0977999999999994, "unifac_groups": "{\"17\": 2, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:CCCOC(=O)c1cc(O)c(O)c(O)c1", "name": "propyl gallate", "smiles": "CCCOC(=O)c1cc(O)c(O)c(O)c1", "molecular_weight": 212.201, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.3702, "unifac_groups": "{\"1\": 1, \"10\": 1, \"17\": 3, \"2\": 2, \"77\": 1, \"9\": 2}", "odor_description": null}
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{"cas": "SMILES:CCOC(=O)C1OC1(C)c1ccccc1", "name": "77-83-8", "smiles": "CCOC(=O)C1OC1(C)c1ccccc1", "molecular_weight": 206.24099999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.8637, "unifac_groups": "{\"1\": 2, \"10\": 1, \"2\": 1, \"26\": 1, \"77\": 1, \"80\": 1, \"9\": 5}", "odor_description": null}
{"cas": "SMILES:C=CC(C)(CCC=C(C)C)OC(=O)C(C)C", "name": "linalyl isobutyrate", "smiles": "C=CC(C)(CCC=C(C)C)OC(=O)C(C)C", "molecular_weight": 224.34399999999994, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.876700000000003, "unifac_groups": "{\"1\": 5, \"2\": 2, \"3\": 1, \"4\": 1, \"5\": 1, \"77\": 1, \"8\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC", "name": "tributyl citrate", "smiles": "CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC", "molecular_weight": 360.4470000000001, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.527600000000001, "unifac_groups": "{\"1\": 3, \"2\": 9, \"22\": 2, \"4\": 1, \"77\": 1, \"82\": 1}", "odor_description": null}
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{"cas": "SMILES:CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC", "name": "77-90-7", "smiles": "CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC", "molecular_weight": 402.4840000000002, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.0984000000000016, "unifac_groups": "{\"1\": 3, \"2\": 9, \"21\": 1, \"22\": 2, \"4\": 1, \"77\": 1}", "odor_description": null}
{"cas": "SMILES:CCC(C)(O)CCCC(C)C", "name": "3,7-dimethyloctan-3-ol", "smiles": "CCC(C)(O)CCCC(C)C", "molecular_weight": 158.285, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.9737000000000022, "unifac_groups": "{\"1\": 4, \"2\": 4, \"3\": 1, \"4\": 1, \"82\": 1}", "odor_description": null}
{"cas": "SMILES:CC1=CC(=O)CC(C)(C)C1", "name": "isophorone", "smiles": "CC1=CC(=O)CC(C)(C)C1", "molecular_weight": 138.21, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.3218000000000005, "unifac_groups": "{\"1\": 3, \"19\": 1, \"78\": 1, \"8\": 1, \"80\": 1}", "odor_description": null}
{"cas": "SMILES:CCC(C)C", "name": "2-methylbutane", "smiles": "CCC(C)C", "molecular_weight": 72.151, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.0524, "unifac_groups": "{\"1\": 3, \"2\": 1, \"3\": 1}", "odor_description": null}
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{"cas": "SMILES:C=C(C)C=O", "name": "methacrolein", "smiles": "C=C(C)C=O", "molecular_weight": 70.09100000000001, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.7614000000000001, "unifac_groups": "{\"1\": 1, \"20\": 1, \"7\": 1}", "odor_description": null}
{"cas": "SMILES:CCC(C)O", "name": "2-butanol", "smiles": "CCC(C)O", "molecular_weight": 74.12299999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.7771999999999999, "unifac_groups": "{\"1\": 2, \"2\": 1, \"3\": 1, \"81\": 1}", "odor_description": null}
{"cas": "SMILES:CC(C)C=O", "name": "isobutyraldehyde", "smiles": "CC(C)C=O", "molecular_weight": 72.107, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.8412999999999999, "unifac_groups": "{\"1\": 2, \"20\": 1, \"3\": 1}", "odor_description": null}
{"cas": "SMILES:CC(C)CN", "name": "isobutylamine", "smiles": "CC(C)CN", "molecular_weight": 73.139, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.6011000000000001, "unifac_groups": "{\"1\": 2, \"29\": 1, \"3\": 1}", "odor_description": null}
{"cas": "SMILES:CCC(C)=O", "name": "2-butanone", "smiles": "CCC(C)=O", "molecular_weight": 72.107, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.9854, "unifac_groups": "{\"1\": 2, \"19\": 1}", "odor_description": null}
{"cas": "SMILES:C=CC(C)=O", "name": "methyl vinyl ketone", "smiles": "C=CC(C)=O", "molecular_weight": 70.09100000000001, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.7614, "unifac_groups": "{\"18\": 1, \"5\": 1}", "odor_description": null}
{"cas": "SMILES:C=C1C2CCC(C2)C1(C)C", "name": "camphene", "smiles": "C=C1C2CCC(C2)C1(C)C", "molecular_weight": 136.238, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.9987000000000013, "unifac_groups": "{\"1\": 2, \"7\": 1, \"78\": 3, \"79\": 2, \"80\": 1}", "odor_description": null}
{"cas": "SMILES:COC(C)=O", "name": "methyl acetate", "smiles": "COC(C)=O", "molecular_weight": 74.07900000000001, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.17930000000000001, "unifac_groups": "{\"1\": 1, \"21\": 1}", "odor_description": null}
{"cas": "SMILES:CC(C)=CCCC(C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3", "name": "(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol", "smiles": "CC(C)=CCCC(C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3", "molecular_weight": 426.72900000000016, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 8.479100000000006, "unifac_groups": "{\"1\": 8, \"2\": 2, \"3\": 1, \"70\": 1, \"78\": 8, \"79\": 3, \"8\": 1, \"80\": 4, \"81\": 1}", "odor_description": null}
{"cas": "SMILES:CC(C)C(=O)O", "name": "isobutyric acid", "smiles": "CC(C)C(=O)O", "molecular_weight": 88.10599999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.727, "unifac_groups": "{\"1\": 2, \"3\": 1, \"42\": 1}", "odor_description": null}
{"cas": "SMILES:CC(=O)OC(C)(C)C1CCC(C)CC1", "name": "dihydroterpinyl acetate", "smiles": "CC(=O)OC(C)(C)C1CCC(C)CC1", "molecular_weight": 198.30599999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.1544000000000016, "unifac_groups": "{\"1\": 3, \"21\": 1, \"4\": 1, \"78\": 4, \"79\": 2}", "odor_description": null}
{"cas": "SMILES:CC(C)(c1ccc(O)cc1)c1ccc(O)cc1", "name": "bisphenol a", "smiles": "CC(C)(c1ccc(O)cc1)c1ccc(O)cc1", "molecular_weight": 228.291, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.4237000000000024, "unifac_groups": "{\"1\": 2, \"10\": 2, \"17\": 2, \"4\": 1, \"9\": 8}", "odor_description": null}
{"cas": "SMILES:CC1=CCC2CC1C2(C)C", "name": "alpha-pinene", "smiles": "CC1=CCC2CC1C2(C)C", "molecular_weight": 136.238, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.9987000000000013, "unifac_groups": "{\"1\": 3, \"78\": 2, \"79\": 2, \"8\": 1, \"80\": 1}", "odor_description": null}
{"cas": "SMILES:CC(=O)OC1(C(C)C)C=CC(C)CC1", "name": "schembl754806", "smiles": "CC(=O)OC1(C(C)C)C=CC(C)CC1", "molecular_weight": 196.28999999999996, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.9304000000000014, "unifac_groups": "{\"1\": 3, \"21\": 1, \"3\": 1, \"6\": 1, \"78\": 2, \"79\": 1, \"80\": 1}", "odor_description": null}
{"cas": "SMILES:C=C(C)C(=O)OC", "name": "methyl methacrylate", "smiles": "C=C(C)C(=O)OC", "molecular_weight": 100.11699999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.7355, "unifac_groups": "{\"1\": 2, \"7\": 1, \"77\": 1}", "odor_description": null}
{"cas": "SMILES:CC1=C(O)C(=O)CC1", "name": "80-71-7", "smiles": "CC1=C(O)C(=O)CC1", "molecular_weight": 112.12799999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.1813, "unifac_groups": "{\"1\": 1, \"19\": 1, \"70\": 1, \"78\": 1, \"81\": 1}", "odor_description": null}
{"cas": "SMILES:CC(CC=O)c1ccc(C(C)(C)C)cc1", "name": "3-(4-tert-butylphenyl)butanal", "smiles": "CC(CC=O)c1ccc(C(C)(C)C)cc1", "molecular_weight": 204.313, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.676600000000003, "unifac_groups": "{\"1\": 4, \"10\": 1, \"13\": 1, \"2\": 1, \"20\": 1, \"4\": 1, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:CNc1ccccc1C(=O)OC", "name": "methyl 2-(methylamino)benzoate", "smiles": "CNc1ccccc1C(=O)OC", "molecular_weight": 165.19199999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.5149, "unifac_groups": "{\"1\": 1, \"10\": 2, \"31\": 1, \"77\": 1, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:O=C(OC1CCCCC1)c1ccccc1C(=O)OC1CCCCC1", "name": "dicyclohexyl phthalate", "smiles": "O=C(OC1CCCCC1)c1ccccc1C(=O)OC1CCCCC1", "molecular_weight": 330.4240000000002, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 4.665600000000004, "unifac_groups": "{\"10\": 2, \"77\": 2, \"78\": 10, \"79\": 2, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:COc1ccccc1-c1ccccc1", "name": "2-methoxybiphenyl", "smiles": "COc1ccccc1-c1ccccc1", "molecular_weight": 184.238, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.3622000000000014, "unifac_groups": "{\"10\": 3, \"24\": 1, \"9\": 9}", "odor_description": null}
{"cas": "SMILES:CCCCOC(=O)COC(=O)c1ccccc1C(=O)OCCCC", "name": "butyl phthalyl butyl glycolate", "smiles": "CCCCOC(=O)COC(=O)c1ccccc1C(=O)OCCCC", "molecular_weight": 336.3840000000002, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.143600000000002, "unifac_groups": "{\"1\": 2, \"10\": 2, \"2\": 6, \"22\": 1, \"77\": 2, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:CC(C)COC(=O)c1ccccc1O", "name": "isobutyl salicylate", "smiles": "CC(C)COC(=O)c1ccccc1O", "molecular_weight": 194.23, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.2050000000000005, "unifac_groups": "{\"1\": 2, \"10\": 1, \"17\": 1, \"2\": 1, \"3\": 1, \"77\": 1, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:CC(C)CCOC(=O)c1ccccc1O", "name": "isoamyl salicylate", "smiles": "CC(C)CCOC(=O)c1ccccc1O", "molecular_weight": 208.257, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.5951000000000017, "unifac_groups": "{\"1\": 2, \"10\": 1, \"17\": 1, \"2\": 2, \"3\": 1, \"77\": 1, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:CCOC(=O)c1ccccc1N", "name": "ethyl anthranilate", "smiles": "CCOC(=O)c1ccccc1N", "molecular_weight": 165.19199999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.4455, "unifac_groups": "{\"1\": 1, \"10\": 1, \"2\": 1, \"36\": 1, \"77\": 1, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:OC[C@@H](O)C(O)[C@@H](O)CO", "name": "xylitol", "smiles": "OC[C@@H](O)C(O)[C@@H](O)CO", "molecular_weight": 152.146, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": -2.9462999999999995, "unifac_groups": "{\"14\": 2, \"2\": 2, \"3\": 3, \"81\": 3}", "odor_description": null}
{"cas": "SMILES:O=C1OCc2ccccc21", "name": "phthalide", "smiles": "O=C1OCc2ccccc21", "molecular_weight": 134.134, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.357, "unifac_groups": "{\"10\": 2, \"77\": 1, \"78\": 1, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:CCC(CC)C(=O)O", "name": "2-ethylbutyric acid", "smiles": "CCC(CC)C(=O)O", "molecular_weight": 116.15999999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.5072, "unifac_groups": "{\"1\": 2, \"2\": 2, \"3\": 1, \"42\": 1}", "odor_description": null}
{"cas": "SMILES:CC(C)=C1CCC(C)C2=C(C1)C(C)CC2", "name": "guaiene", "smiles": "CC(C)=C1CCC(C)C2=C(C1)C(C)CC2", "molecular_weight": 204.35699999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 4.869300000000004, "unifac_groups": "{\"1\": 4, \"70\": 2, \"78\": 5, \"79\": 2}", "odor_description": null}
{"cas": "SMILES:CC(=O)c1cccs1", "name": "2-acetylthiophene", "smiles": "CC(=O)c1cccs1", "molecular_weight": 126.17999999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.9507, "unifac_groups": "{\"105\": 1, \"18\": 1, \"9\": 2}", "odor_description": null}
{"cas": "SMILES:Cc1ccc(C(C)(C)C)c(O)c1", "name": "6-tert-butyl-m-cresol", "smiles": "Cc1ccc(C(C)(C)C)c(O)c1", "molecular_weight": 164.248, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.9981200000000015, "unifac_groups": "{\"1\": 3, \"10\": 1, \"11\": 1, \"17\": 1, \"4\": 1, \"9\": 3}", "odor_description": null}
{"cas": "SMILES:CC(C)c1ccccc1O", "name": "2-isopropylphenol", "smiles": "CC(C)c1ccccc1O", "molecular_weight": 136.19399999999996, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.5156000000000014, "unifac_groups": "{\"1\": 2, \"13\": 1, \"17\": 1, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:CCc1cc2c(cc1C(C)=O)C(C)(C)CCC2(C)C", "name": "versalide", "smiles": "CCc1cc2c(cc1C(C)=O)C(C)(C)CCC2(C)C", "molecular_weight": 258.4049999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 4.800600000000005, "unifac_groups": "{\"1\": 5, \"10\": 3, \"12\": 1, \"18\": 1, \"78\": 2, \"80\": 2, \"9\": 2}", "odor_description": null}
{"cas": "SMILES:CC1CCC(C(C)C)C(OC(=O)c2ccccc2O)C1", "name": "menthyl salicylate", "smiles": "CC1CCC(C(C)C)C(OC(=O)c2ccccc2O)C1", "molecular_weight": 276.37600000000003, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 4.009800000000003, "unifac_groups": "{\"1\": 3, \"10\": 1, \"17\": 1, \"3\": 1, \"77\": 1, \"78\": 3, \"79\": 3, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:CC1CCC(C(C)C)C(=O)C1", "name": "10458-14-7", "smiles": "CC1CCC(C(C)C)C(=O)C1", "molecular_weight": 154.253, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.6477000000000013, "unifac_groups": "{\"1\": 3, \"19\": 1, \"3\": 1, \"78\": 2, \"79\": 2}", "odor_description": null}
{"cas": "SMILES:CC(=O)c1ccc(C)cc1C", "name": "2',4'-dimethylacetophenone", "smiles": "CC(=O)c1ccc(C)cc1C", "molecular_weight": 148.20499999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.5060400000000005, "unifac_groups": "{\"10\": 1, \"11\": 2, \"18\": 1, \"9\": 3}", "odor_description": null}
{"cas": "SMILES:CC(C)=C1CCC(C)CC1=O", "name": "pulegone", "smiles": "CC(C)=C1CCC(C)CC1=O", "molecular_weight": 152.23699999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.711900000000001, "unifac_groups": "{\"1\": 3, \"19\": 1, \"70\": 1, \"78\": 2, \"79\": 1}", "odor_description": null}
{"cas": "SMILES:Cc1ccc(C(C)C)c(O)c1", "name": "thymol", "smiles": "Cc1ccc(C(C)C)c(O)c1", "molecular_weight": 150.22099999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.8240200000000013, "unifac_groups": "{\"1\": 2, \"11\": 1, \"13\": 1, \"17\": 1, \"9\": 3}", "odor_description": null}
{"cas": "SMILES:O=Cc1ccccc1O", "name": "salicylaldehyde", "smiles": "O=Cc1ccccc1O", "molecular_weight": 122.12299999999996, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.2046999999999997, "unifac_groups": "{\"10\": 1, \"17\": 1, \"20\": 1, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:Cc1cccc2ccccc12", "name": "1-methylnaphthalene", "smiles": "Cc1cccc2ccccc12", "molecular_weight": 142.201, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.148220000000002, "unifac_groups": "{\"10\": 2, \"11\": 1, \"9\": 7}", "odor_description": null}
{"cas": "SMILES:CC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl", "name": "2,2,2-trichloro-1-phenylethyl acetate", "smiles": "CC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl", "molecular_weight": 267.539, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.6610000000000023, "unifac_groups": "{\"13\": 1, \"21\": 1, \"51\": 1, \"9\": 5}", "odor_description": null}
{"cas": "SMILES:O=C1CCCCC1C1CCCCC1", "name": "2-cyclohexylcyclohexanone", "smiles": "O=C1CCCCC1C1CCCCC1", "molecular_weight": 180.29099999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.3260000000000023, "unifac_groups": "{\"19\": 1, \"78\": 8, \"79\": 2}", "odor_description": null}
{"cas": "SMILES:O=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O", "name": "gluconolactone", "smiles": "O=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O", "molecular_weight": 178.14, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": -3.0131999999999985, "unifac_groups": "{\"14\": 1, \"2\": 1, \"77\": 1, \"79\": 4, \"81\": 3}", "odor_description": null}
{"cas": "SMILES:OC(c1ccccc1)c1ccccc1", "name": "diphenylmethanol", "smiles": "OC(c1ccccc1)c1ccccc1", "molecular_weight": 184.23799999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.7683000000000013, "unifac_groups": "{\"10\": 1, \"13\": 1, \"81\": 1, \"9\": 10}", "odor_description": null}
{"cas": "SMILES:COc1cccc(OC)c1O", "name": "2,6-dimethoxyphenol", "smiles": "COc1cccc(OC)c1O", "molecular_weight": 154.16499999999996, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.4093999999999995, "unifac_groups": "{\"10\": 2, \"17\": 1, \"24\": 2, \"9\": 3}", "odor_description": null}
{"cas": "SMILES:COc1ccccc1OC", "name": "1,2-dimethoxybenzene", "smiles": "COc1ccccc1OC", "molecular_weight": 138.16599999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.7038, "unifac_groups": "{\"10\": 2, \"24\": 2, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:c1ccc2ncccc2c1", "name": "quinoline", "smiles": "c1ccc2ncccc2c1", "molecular_weight": 129.16199999999995, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.2348, "unifac_groups": "{\"10\": 1, \"38\": 1, \"9\": 6}", "odor_description": null}
{"cas": "SMILES:Cc1ccc2ccccc2c1", "name": "2-methylnaphthalene", "smiles": "Cc1ccc2ccccc2c1", "molecular_weight": 142.201, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.148220000000002, "unifac_groups": "{\"10\": 2, \"11\": 1, \"9\": 7}", "odor_description": null}
{"cas": "SMILES:c1ccc(-c2ccccc2)cc1", "name": "biphenyl", "smiles": "c1ccc(-c2ccccc2)cc1", "molecular_weight": 154.21199999999996, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.353600000000002, "unifac_groups": "{\"10\": 2, \"9\": 10}", "odor_description": null}
{"cas": "SMILES:Cc1ccc2ncccc2c1", "name": "6-methylquinoline", "smiles": "Cc1ccc2ncccc2c1", "molecular_weight": 143.189, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.54322, "unifac_groups": "{\"10\": 1, \"11\": 1, \"38\": 1, \"9\": 5}", "odor_description": null}
{"cas": "SMILES:CC(=O)c1ccc2ccccc2c1", "name": "2-acetylnaphthalene", "smiles": "CC(=O)c1ccc2ccccc2c1", "molecular_weight": 170.21099999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.0424000000000015, "unifac_groups": "{\"10\": 3, \"18\": 1, \"9\": 7}", "odor_description": null}
{"cas": "SMILES:COc1ccc2ccccc2c1", "name": "2-methoxynaphthalene", "smiles": "COc1ccc2ccccc2c1", "molecular_weight": 158.2, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.8484000000000007, "unifac_groups": "{\"10\": 3, \"24\": 1, \"9\": 7}", "odor_description": null}
{"cas": "SMILES:C=CCc1ccc(OC)c(OC)c1", "name": "methyl eugenol", "smiles": "C=CCc1ccc(OC)c(OC)c1", "molecular_weight": 178.23099999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.4323000000000006, "unifac_groups": "{\"10\": 2, \"12\": 1, \"24\": 2, \"5\": 1, \"9\": 3}", "odor_description": null}
{"cas": "SMILES:CC=Cc1ccc(OC)c(OC)c1", "name": "methyl isoeugenol", "smiles": "CC=Cc1ccc(OC)c(OC)c1", "molecular_weight": 178.23099999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.736900000000001, "unifac_groups": "{\"1\": 1, \"10\": 3, \"24\": 2, \"6\": 1, \"9\": 3}", "odor_description": null}
{"cas": "SMILES:CCOc1ccc2ccccc2c1", "name": "2-ethoxynaphthalene", "smiles": "CCOc1ccc2ccccc2c1", "molecular_weight": 172.22699999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.238500000000002, "unifac_groups": "{\"1\": 1, \"10\": 3, \"25\": 1, \"9\": 7}", "odor_description": null}
{"cas": "SMILES:CC(C)Cc1ccc2ccccc2n1", "name": "2-isobutylquinoline", "smiles": "CC(C)Cc1ccc2ccccc2n1", "molecular_weight": 185.27, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.433300000000002, "unifac_groups": "{\"1\": 2, \"10\": 1, \"2\": 1, \"3\": 1, \"39\": 1, \"9\": 6}", "odor_description": null}
{"cas": "SMILES:C=CCc1ccc(OC(C)=O)c(OC)c1", "name": "eugenol acetate", "smiles": "C=CCc1ccc(OC(C)=O)c(OC)c1", "molecular_weight": 206.24099999999996, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.349, "unifac_groups": "{\"10\": 2, \"12\": 1, \"21\": 1, \"24\": 1, \"5\": 1, \"9\": 3}", "odor_description": null}
{"cas": "SMILES:COc1cc(C)ccc1O", "name": "2-methoxy-4-methylphenol", "smiles": "COc1cc(C)ccc1O", "molecular_weight": 138.16599999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.7092199999999997, "unifac_groups": "{\"10\": 1, \"11\": 1, \"17\": 1, \"24\": 1, \"9\": 3}", "odor_description": null}
{"cas": "SMILES:CC=Cc1ccc(OC(C)=O)c(OC)c1", "name": "isoeugenol acetate", "smiles": "CC=Cc1ccc(OC(C)=O)c(OC)c1", "molecular_weight": 206.24099999999996, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.653600000000001, "unifac_groups": "{\"1\": 1, \"10\": 3, \"21\": 1, \"24\": 1, \"6\": 1, \"9\": 3}", "odor_description": null}
{"cas": "SMILES:CC(C=O)c1ccccc1", "name": "2-phenylpropanal", "smiles": "CC(C=O)c1ccccc1", "molecular_weight": 134.17799999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.9889999999999999, "unifac_groups": "{\"1\": 1, \"13\": 1, \"20\": 1, \"9\": 5}", "odor_description": null}
{"cas": "SMILES:CCC(O)c1ccccc1", "name": "1-phenyl-1-propanol", "smiles": "CCC(O)c1ccccc1", "molecular_weight": 136.19399999999996, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.1300000000000003, "unifac_groups": "{\"1\": 1, \"13\": 1, \"2\": 1, \"81\": 1, \"9\": 5}", "odor_description": null}
{"cas": "SMILES:CCC(=O)c1ccccc1", "name": "propiophenone", "smiles": "CCC(=O)c1ccccc1", "molecular_weight": 134.17799999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.2793, "unifac_groups": "{\"1\": 1, \"10\": 1, \"19\": 1, \"9\": 5}", "odor_description": null}
{"cas": "SMILES:CCOC(=O)c1ccccc1", "name": "ethyl benzoate", "smiles": "CCOC(=O)c1ccccc1", "molecular_weight": 150.177, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.8633, "unifac_groups": "{\"1\": 1, \"10\": 1, \"2\": 1, \"77\": 1, \"9\": 5}", "odor_description": null}
{"cas": "SMILES:COC(=O)c1cccnc1", "name": "methyl nicotinate", "smiles": "COC(=O)c1cccnc1", "molecular_weight": 137.138, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.8681999999999999, "unifac_groups": "{\"1\": 1, \"10\": 1, \"37\": 1, \"77\": 1, \"9\": 2}", "odor_description": null}
{"cas": "SMILES:O=C(Oc1ccccc1)c1ccccc1", "name": "phenyl benzoate", "smiles": "O=C(Oc1ccccc1)c1ccccc1", "molecular_weight": 198.221, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.905800000000001, "unifac_groups": "{\"10\": 2, \"77\": 1, \"9\": 10}", "odor_description": null}
{"cas": "SMILES:CC(=O)CC(=O)c1ccccc1", "name": "benzoylacetone", "smiles": "CC(=O)CC(=O)c1ccccc1", "molecular_weight": 162.188, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.8484, "unifac_groups": "{\"10\": 1, \"18\": 1, \"19\": 1, \"9\": 5}", "odor_description": null}
{"cas": "SMILES:CCOC(=O)CC(=O)c1ccccc1", "name": "ethyl benzoylacetate", "smiles": "CCOC(=O)CC(=O)c1ccccc1", "molecular_weight": 192.21400000000003, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.8225, "unifac_groups": "{\"1\": 1, \"10\": 1, \"19\": 1, \"2\": 1, \"77\": 1, \"9\": 5}", "odor_description": null}
{"cas": "SMILES:O=C(OOC(=O)c1ccccc1)c1ccccc1", "name": "benzoyl peroxide", "smiles": "O=C(OOC(=O)c1ccccc1)c1ccccc1", "molecular_weight": 242.23, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.615400000000001, "unifac_groups": "{\"10\": 2, \"77\": 2, \"9\": 10}", "odor_description": null}
{"cas": "SMILES:CCCOC(=O)c1ccc(O)cc1", "name": "propylparaben", "smiles": "CCCOC(=O)c1ccc(O)cc1", "molecular_weight": 180.20299999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.959, "unifac_groups": "{\"1\": 1, \"10\": 1, \"17\": 1, \"2\": 2, \"77\": 1, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:CCCCOC(=O)c1ccc(O)cc1", "name": "butyl 4-hydroxybenzoate", "smiles": "CCCCOC(=O)c1ccc(O)cc1", "molecular_weight": 194.23, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.3491000000000004, "unifac_groups": "{\"1\": 1, \"10\": 1, \"17\": 1, \"2\": 3, \"77\": 1, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:CC(C)CCOC(=O)c1ccccc1", "name": "isoamyl benzoate", "smiles": "CC(C)CCOC(=O)c1ccccc1", "molecular_weight": 192.258, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.8895000000000017, "unifac_groups": "{\"1\": 2, \"10\": 1, \"2\": 2, \"3\": 1, \"77\": 1, \"9\": 5}", "odor_description": null}
{"cas": "SMILES:CCCC(O)C(CC)CO", "name": "2-ethyl-1,3-hexanediol", "smiles": "CCCC(O)C(CC)CO", "molecular_weight": 146.23000000000002, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.1659, "unifac_groups": "{\"1\": 2, \"14\": 1, \"2\": 4, \"3\": 2, \"81\": 1}", "odor_description": null}
{"cas": "SMILES:O=C(OCCc1ccccc1)c1ccccc1", "name": "phenethyl benzoate", "smiles": "O=C(OCCc1ccccc1)c1ccccc1", "molecular_weight": 226.275, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.086100000000002, "unifac_groups": "{\"10\": 1, \"12\": 1, \"2\": 1, \"77\": 1, \"9\": 10}", "odor_description": null}
{"cas": "SMILES:Cc1ccccc1C", "name": "o-xylene", "smiles": "Cc1ccccc1C", "molecular_weight": 106.16799999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.30344, "unifac_groups": "{\"11\": 2, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:Cc1ccc(O)cc1C", "name": "3,4-dimethylphenol", "smiles": "Cc1ccc(O)cc1C", "molecular_weight": 122.16699999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.0090399999999997, "unifac_groups": "{\"11\": 2, \"17\": 1, \"9\": 3}", "odor_description": null}
{"cas": "SMILES:CCC(C)C=O", "name": "2-methylbutyraldehyde", "smiles": "CCC(C)C=O", "molecular_weight": 86.13399999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.2314, "unifac_groups": "{\"1\": 2, \"2\": 1, \"20\": 1, \"3\": 1}", "odor_description": null}
{"cas": "SMILES:Cc1ccc(C)c(O)c1", "name": "2,5-dimethylphenol", "smiles": "Cc1ccc(C)c(O)c1", "molecular_weight": 122.16699999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.00904, "unifac_groups": "{\"11\": 2, \"17\": 1, \"9\": 3}", "odor_description": null}
{"cas": "SMILES:CC1OC1C1CCC2(C)OC2C1", "name": "1-methyl-4-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane", "smiles": "CC1OC1C1CCC2(C)OC2C1", "molecular_weight": 168.23599999999996, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.7312999999999998, "unifac_groups": "{\"1\": 2, \"109\": 1, \"26\": 1, \"78\": 3, \"79\": 1, \"80\": 1}", "odor_description": null}
{"cas": "SMILES:CCC(C)CN", "name": "2-methylbutylamine", "smiles": "CCC(C)CN", "molecular_weight": 87.16600000000001, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.9912000000000001, "unifac_groups": "{\"1\": 2, \"2\": 1, \"29\": 1, \"3\": 1}", "odor_description": null}
{"cas": "SMILES:O=C1CCCO1", "name": "gamma-butyrolactone", "smiles": "O=C1CCCO1", "molecular_weight": 86.09, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.3234, "unifac_groups": "{\"22\": 1, \"78\": 2}", "odor_description": null}
{"cas": "SMILES:CCC(=O)CC", "name": "3-pentanone", "smiles": "CCC(=O)CC", "molecular_weight": 86.134, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.3755, "unifac_groups": "{\"1\": 2, \"19\": 1, \"2\": 1}", "odor_description": null}
{"cas": "SMILES:Cn1cccc1", "name": "1-methyl-1h-pyrrole", "smiles": "Cn1cccc1", "molecular_weight": 81.118, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.0251, "unifac_groups": "{\"1\": 1, \"37\": 1, \"9\": 2}", "odor_description": null}
{"cas": "SMILES:C=C(C)C1CC=C(C)C(OC(C)=O)C1", "name": "carvyl acetate", "smiles": "C=C(C)C1CC=C(C)C(OC(C)=O)C1", "molecular_weight": 194.27399999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.850500000000001, "unifac_groups": "{\"1\": 2, \"21\": 1, \"7\": 1, \"78\": 2, \"79\": 2, \"8\": 1}", "odor_description": null}
{"cas": "SMILES:CCOC(=O)C(C)C", "name": "ethyl isobutyrate", "smiles": "CCOC(=O)C(C)C", "molecular_weight": 116.15999999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.2055, "unifac_groups": "{\"1\": 3, \"2\": 1, \"3\": 1, \"77\": 1}", "odor_description": null}
{"cas": "SMILES:C=C(C)C(=O)OCC", "name": "ethyl methacrylate", "smiles": "C=C(C)C(=O)OCC", "molecular_weight": 114.14399999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.1256000000000002, "unifac_groups": "{\"1\": 2, \"2\": 1, \"7\": 1, \"77\": 1}", "odor_description": null}
{"cas": "SMILES:CCC(CC)CO", "name": "2-ethyl-1-butanol", "smiles": "CCC(CC)CO", "molecular_weight": 102.17699999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.4149, "unifac_groups": "{\"1\": 2, \"14\": 1, \"2\": 3, \"3\": 1}", "odor_description": null}
{"cas": "SMILES:CCOC(=O)C(C)O", "name": "ethyl lactate", "smiles": "CCOC(=O)C(C)O", "molecular_weight": 118.13199999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": -0.06970000000000004, "unifac_groups": "{\"1\": 2, \"2\": 1, \"3\": 1, \"77\": 1, \"81\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCCCCCCCCC(=O)N(C)CC(=O)O", "name": "n-lauroylsarcosine", "smiles": "CCCCCCCCCCCC(=O)N(C)CC(=O)O", "molecular_weight": 271.40099999999995, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.4503000000000013, "unifac_groups": "{\"1\": 1, \"102\": 1, \"2\": 10, \"42\": 1}", "odor_description": null}
{"cas": "SMILES:CC(C)COC(=O)C(C)C", "name": "isobutyl isobutyrate", "smiles": "CC(C)COC(=O)C(C)C", "molecular_weight": 144.21399999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.8416000000000001, "unifac_groups": "{\"1\": 4, \"2\": 1, \"3\": 2, \"77\": 1}", "odor_description": null}
{"cas": "SMILES:CCC(C=O)CC", "name": "2-ethylbutanal", "smiles": "CCC(C=O)CC", "molecular_weight": 100.16099999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.6215, "unifac_groups": "{\"1\": 2, \"2\": 2, \"20\": 1, \"3\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCOC(=O)C(C)C", "name": "butyl isobutyrate", "smiles": "CCCCOC(=O)C(C)C", "molecular_weight": 144.21399999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.9857, "unifac_groups": "{\"1\": 3, \"2\": 3, \"3\": 1, \"77\": 1}", "odor_description": null}
{"cas": "SMILES:OCC1CCCO1", "name": "tetrahydrofurfuryl alcohol", "smiles": "OCC1CCCO1", "molecular_weight": 102.133, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.1577, "unifac_groups": "{\"14\": 1, \"2\": 1, \"78\": 2, \"79\": 1, \"83\": 1}", "odor_description": null}
{"cas": "SMILES:O=Cc1ccco1", "name": "furfural", "smiles": "O=Cc1ccco1", "molecular_weight": 96.08499999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.0920999999999998, "unifac_groups": "{\"61\": 1}", "odor_description": null}
{"cas": "SMILES:CC(C)(C)C1CCC(O)CC1", "name": "4-tert-butylcyclohexanol", "smiles": "CC(C)(C)C1CCC(O)CC1", "molecular_weight": 156.26899999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.583600000000001, "unifac_groups": "{\"1\": 3, \"4\": 1, \"78\": 4, \"79\": 2, \"81\": 1}", "odor_description": null}
{"cas": "SMILES:O=Cc1cccs1", "name": "thiophene-2-carbaldehyde", "smiles": "O=Cc1cccs1", "molecular_weight": 112.15299999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.5605999999999998, "unifac_groups": "{\"105\": 1, \"20\": 1, \"9\": 2}", "odor_description": null}
{"cas": "SMILES:CC(C)(C)c1ccc(O)c(O)c1", "name": "4-tert-butylcatechol", "smiles": "CC(C)(C)c1ccc(O)c(O)c1", "molecular_weight": 166.22, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.3953000000000015, "unifac_groups": "{\"1\": 3, \"10\": 1, \"17\": 2, \"4\": 1, \"9\": 3}", "odor_description": null}
{"cas": "SMILES:CC(C)(C)C1CCC(=O)CC1", "name": "4-tert-butylcyclohexanone", "smiles": "CC(C)(C)C1CCC(=O)CC1", "molecular_weight": 154.25299999999996, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.791800000000001, "unifac_groups": "{\"1\": 3, \"19\": 1, \"4\": 1, \"78\": 3, \"79\": 1}", "odor_description": null}
{"cas": "SMILES:CC(O)c1ccccc1", "name": "1-phenylethanol", "smiles": "CC(O)c1ccccc1", "molecular_weight": 122.16699999999996, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.7399, "unifac_groups": "{\"1\": 1, \"13\": 1, \"81\": 1, \"9\": 5}", "odor_description": null}
{"cas": "SMILES:CC(C)(C)c1ccc(O)cc1", "name": "4-tert-butylphenol", "smiles": "CC(C)(C)c1ccc(O)cc1", "molecular_weight": 150.22099999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.6897000000000015, "unifac_groups": "{\"1\": 3, \"10\": 1, \"17\": 1, \"4\": 1, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:C=C(C)C1CC=C(C)C(O)C1", "name": "carveol", "smiles": "C=C(C)C1CC=C(C)C(O)C1", "molecular_weight": 152.23699999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.2797, "unifac_groups": "{\"1\": 2, \"7\": 1, \"78\": 2, \"79\": 2, \"8\": 1, \"81\": 1}", "odor_description": null}
{"cas": "SMILES:O=C(O)C1CCCCC1", "name": "cyclohexanecarboxylic acid", "smiles": "O=C(O)C1CCCCC1", "molecular_weight": 128.171, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.6513, "unifac_groups": "{\"42\": 1, \"78\": 5, \"79\": 1}", "odor_description": null}
{"cas": "SMILES:CC(=O)c1ccccc1", "name": "acetophenone", "smiles": "CC(=O)c1ccccc1", "molecular_weight": 120.15099999999995, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.8892, "unifac_groups": "{\"10\": 1, \"18\": 1, \"9\": 5}", "odor_description": null}
{"cas": "SMILES:C=C(C)C1CC=C(C)C(=O)C1", "name": "carvone", "smiles": "C=C(C)C1CC=C(C)C(=O)C1", "molecular_weight": 150.22099999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.4879000000000007, "unifac_groups": "{\"1\": 2, \"19\": 1, \"7\": 1, \"78\": 1, \"79\": 1, \"8\": 1}", "odor_description": null}
{"cas": "SMILES:CC1=CCC(C(C)C)C=C1", "name": "alpha-phellandrene", "smiles": "CC1=CCC(C(C)C)C=C1", "molecular_weight": 136.23799999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.1648000000000023, "unifac_groups": "{\"1\": 3, \"3\": 1, \"6\": 1, \"78\": 1, \"79\": 1, \"8\": 1}", "odor_description": null}
{"cas": "SMILES:CC1CCC(C(C)C)CC1", "name": "p-menthane", "smiles": "CC1CCC(C(C)C)CC1", "molecular_weight": 140.26999999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.468700000000003, "unifac_groups": "{\"1\": 3, \"3\": 1, \"78\": 4, \"79\": 2}", "odor_description": null}
{"cas": "SMILES:COC(=O)c1ccc(C)cc1", "name": "methyl 4-methylbenzoate", "smiles": "COC(=O)c1ccc(C)cc1", "molecular_weight": 150.177, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.78162, "unifac_groups": "{\"1\": 1, \"10\": 1, \"11\": 1, \"77\": 1, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:COC(=O)c1ccc(O)cc1", "name": "methyl 4-hydroxybenzoate", "smiles": "COC(=O)c1ccc(O)cc1", "molecular_weight": 152.149, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.1788, "unifac_groups": "{\"1\": 1, \"10\": 1, \"17\": 1, \"77\": 1, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:CC1=CC=C(C(C)C)CC1", "name": "alpha-terpinene", "smiles": "CC1=CC=C(C(C)C)CC1", "molecular_weight": 136.238, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.308900000000002, "unifac_groups": "{\"1\": 3, \"3\": 1, \"78\": 2, \"8\": 2}", "odor_description": null}
{"cas": "SMILES:Cc1ccc(C(C)C)cc1", "name": "p-cymene", "smiles": "Cc1ccc(C(C)C)cc1", "molecular_weight": 134.22199999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.118420000000002, "unifac_groups": "{\"1\": 2, \"11\": 1, \"13\": 1, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:CC(C)c1ccc(O)cc1", "name": "4-isopropylphenol", "smiles": "CC(C)c1ccc(O)cc1", "molecular_weight": 136.19399999999996, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.5156000000000014, "unifac_groups": "{\"1\": 2, \"13\": 1, \"17\": 1, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:C=Cc1ccccc1", "name": "styrene", "smiles": "C=Cc1ccccc1", "molecular_weight": 104.15199999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.3296, "unifac_groups": "{\"10\": 1, \"5\": 1, \"9\": 5}", "odor_description": null}
{"cas": "SMILES:CC(=O)c1ccc(Cl)cc1", "name": "4'-chloroacetophenone", "smiles": "CC(=O)c1ccc(Cl)cc1", "molecular_weight": 154.59599999999995, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.542600000000001, "unifac_groups": "{\"10\": 1, \"18\": 1, \"53\": 1, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:SCc1ccccc1", "name": "benzyl mercaptan", "smiles": "SCc1ccccc1", "molecular_weight": 124.20799999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.1164, "unifac_groups": "{\"10\": 1, \"60\": 1, \"9\": 5}", "odor_description": null}
{"cas": "SMILES:COc1ccc(C(=O)O)cc1", "name": "4-methoxybenzoic acid", "smiles": "COc1ccc(C(=O)O)cc1", "molecular_weight": 152.14899999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.3934, "unifac_groups": "{\"10\": 2, \"24\": 1, \"42\": 1, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:CC(=O)c1ccc(O)cc1", "name": "4'-hydroxyacetophenone", "smiles": "CC(=O)c1ccc(O)cc1", "molecular_weight": 136.14999999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.5948, "unifac_groups": "{\"10\": 1, \"17\": 1, \"18\": 1, \"9\": 4}", "odor_description": null}
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{"cas": "SMILES:O=C(Cc1ccccc1)Cc1ccccc1", "name": "1,3-diphenylacetone", "smiles": "O=C(Cc1ccccc1)Cc1ccccc1", "molecular_weight": 210.27599999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.0409000000000015, "unifac_groups": "{\"10\": 1, \"12\": 1, \"19\": 1, \"9\": 10}", "odor_description": null}
{"cas": "SMILES:CC(C)CCOC(=O)Cc1ccccc1", "name": "102-19-2", "smiles": "CC(C)CCOC(=O)Cc1ccccc1", "molecular_weight": 206.285, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.8184000000000013, "unifac_groups": "{\"1\": 2, \"12\": 1, \"2\": 2, \"3\": 1, \"77\": 1, \"9\": 5}", "odor_description": null}
{"cas": "SMILES:CCCN(CCC)CCC", "name": "tripropylamine", "smiles": "CCCN(CCC)CCC", "molecular_weight": 143.27399999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.5184000000000006, "unifac_groups": "{\"1\": 3, \"2\": 5, \"35\": 1}", "odor_description": null}
{"cas": "SMILES:COc1ccc(COC(=O)Cc2ccccc2)cc1", "name": "4-methoxybenzyl phenylacetate", "smiles": "COc1ccc(COC(=O)Cc2ccccc2)cc1", "molecular_weight": 256.301, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.9811000000000014, "unifac_groups": "{\"10\": 1, \"12\": 2, \"24\": 1, \"77\": 1, \"9\": 9}", "odor_description": null}
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{"cas": "SMILES:O=C(Cc1ccccc1)OCCc1ccccc1", "name": "phenethyl phenylacetate", "smiles": "O=C(Cc1ccccc1)OCCc1ccccc1", "molecular_weight": 240.302, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.0150000000000015, "unifac_groups": "{\"12\": 2, \"2\": 1, \"77\": 1, \"9\": 10}", "odor_description": null}
{"cas": "SMILES:CC(=O)OC(C)(C)CCc1ccccc1", "name": "103-07-1", "smiles": "CC(=O)OC(C)(C)CCc1ccccc1", "molecular_weight": 206.28500000000003, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.9609000000000014, "unifac_groups": "{\"1\": 2, \"12\": 1, \"2\": 1, \"21\": 1, \"4\": 1, \"9\": 5}", "odor_description": null}
{"cas": "SMILES:CCCCC(CC)COC(C)=O", "name": "2-ethylhexyl acetate", "smiles": "CCCCC(CC)COC(C)=O", "molecular_weight": 172.26799999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.765900000000001, "unifac_groups": "{\"1\": 2, \"2\": 5, \"21\": 1, \"3\": 1}", "odor_description": null}
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{"cas": "SMILES:COC(=O)CCc1ccccc1", "name": "methyl 3-phenylpropionate", "smiles": "COC(=O)CCc1ccccc1", "molecular_weight": 164.204, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.7921999999999998, "unifac_groups": "{\"1\": 1, \"12\": 1, \"22\": 1, \"9\": 5}", "odor_description": null}
{"cas": "SMILES:CCOC(=O)C=Cc1ccccc1", "name": "ethyl 3-phenylprop-2-enoate", "smiles": "CCOC(=O)C=Cc1ccccc1", "molecular_weight": 176.215, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.2629, "unifac_groups": "{\"1\": 1, \"10\": 1, \"2\": 1, \"6\": 1, \"77\": 1, \"9\": 5}", "odor_description": null}
{"cas": "SMILES:CCCC(=O)OCc1ccccc1", "name": "benzyl butyrate", "smiles": "CCCC(=O)OCc1ccccc1", "molecular_weight": 178.231, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.5299000000000005, "unifac_groups": "{\"1\": 1, \"12\": 1, \"2\": 1, \"22\": 1, \"9\": 5}", "odor_description": null}
{"cas": "SMILES:CC(C)C(=O)OCc1ccccc1", "name": "benzyl isobutyrate", "smiles": "CC(C)C(=O)OCc1ccccc1", "molecular_weight": 178.231, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.3858000000000006, "unifac_groups": "{\"1\": 2, \"12\": 1, \"3\": 1, \"77\": 1, \"9\": 5}", "odor_description": null}
{"cas": "SMILES:CC(C)CC(=O)OCc1ccccc1", "name": "benzyl isovalerate", "smiles": "CC(C)CC(=O)OCc1ccccc1", "molecular_weight": 192.258, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.775900000000001, "unifac_groups": "{\"1\": 2, \"12\": 1, \"22\": 1, \"3\": 1, \"9\": 5}", "odor_description": null}
{"cas": "SMILES:CC(C)C(=O)OCCc1ccccc1", "name": "phenethyl isobutyrate", "smiles": "CC(C)C(=O)OCCc1ccccc1", "molecular_weight": 192.258, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.4283, "unifac_groups": "{\"1\": 2, \"12\": 1, \"2\": 1, \"3\": 1, \"77\": 1, \"9\": 5}", "odor_description": null}
{"cas": "SMILES:c1ccc(COCc2ccccc2)cc1", "name": "dibenzyl ether", "smiles": "c1ccc(COCc2ccccc2)cc1", "molecular_weight": 198.26500000000001, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.403400000000002, "unifac_groups": "{\"10\": 1, \"12\": 1, \"25\": 1, \"9\": 10}", "odor_description": null}
{"cas": "SMILES:BrC=Cc1ccccc1", "name": "benzene, bromoethenyl-", "smiles": "BrC=Cc1ccccc1", "molecular_weight": 183.04799999999994, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.052200000000002, "unifac_groups": "{\"10\": 1, \"6\": 1, \"64\": 1, \"9\": 5}", "odor_description": null}
{"cas": "SMILES:CCCC(=O)OCCc1ccccc1", "name": "phenethyl butyrate", "smiles": "CCCC(=O)OCCc1ccccc1", "molecular_weight": 192.258, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.572400000000001, "unifac_groups": "{\"1\": 1, \"12\": 1, \"2\": 2, \"22\": 1, \"9\": 5}", "odor_description": null}
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{"cas": "SMILES:CC(C)C(=O)OCCCc1ccccc1", "name": "3-phenylpropyl isobutyrate", "smiles": "CC(C)C(=O)OCCCc1ccccc1", "molecular_weight": 206.285, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.8184000000000013, "unifac_groups": "{\"1\": 2, \"12\": 1, \"2\": 2, \"3\": 1, \"77\": 1, \"9\": 5}", "odor_description": null}
{"cas": "SMILES:CCC(=O)OCC=Cc1ccccc1", "name": "3-phenylprop-2-en-1-yl propanoate", "smiles": "CCC(=O)OCC=Cc1ccccc1", "molecular_weight": 190.24200000000002, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.6530000000000014, "unifac_groups": "{\"1\": 1, \"10\": 1, \"2\": 1, \"22\": 1, \"6\": 1, \"9\": 5}", "odor_description": null}
{"cas": "SMILES:CCCC(=O)OCC=Cc1ccccc1", "name": "butanoic acid, 3-phenyl-2-propenyl ester", "smiles": "CCCC(=O)OCC=Cc1ccccc1", "molecular_weight": 204.269, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.0431000000000017, "unifac_groups": "{\"1\": 1, \"10\": 1, \"2\": 2, \"22\": 1, \"6\": 1, \"9\": 5}", "odor_description": null}
{"cas": "SMILES:Cc1ccc(OC(=O)C(C)C)cc1", "name": "p-tolyl isobutyrate", "smiles": "Cc1ccc(OC(=O)C(C)C)cc1", "molecular_weight": 178.231, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.55642, "unifac_groups": "{\"1\": 2, \"10\": 1, \"11\": 1, \"3\": 1, \"77\": 1, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:COc1ccc(COC(C)=O)cc1", "name": "4-methoxybenzyl acetate", "smiles": "COc1ccc(COC(C)=O)cc1", "molecular_weight": 180.203, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.7583, "unifac_groups": "{\"10\": 1, \"12\": 1, \"21\": 1, \"24\": 1, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:CCCc1ccc(OC)cc1", "name": "4-propylanisole", "smiles": "CCCc1ccc(OC)cc1", "molecular_weight": 150.22099999999995, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.6477000000000004, "unifac_groups": "{\"1\": 1, \"10\": 1, \"12\": 1, \"2\": 1, \"24\": 1, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:CCCCC1CCC(=O)O1", "name": "gamma-octalactone", "smiles": "CCCCC1CCC(=O)O1", "molecular_weight": 142.19799999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.8822, "unifac_groups": "{\"1\": 1, \"2\": 3, \"22\": 1, \"78\": 1, \"79\": 1}", "odor_description": null}
{"cas": "SMILES:O=CCCc1ccccc1", "name": "3-phenylpropanal", "smiles": "O=CCCc1ccccc1", "molecular_weight": 134.17799999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.8181, "unifac_groups": "{\"12\": 1, \"2\": 1, \"20\": 1, \"9\": 5}", "odor_description": null}
{"cas": "SMILES:CCCCCC1CCC(=O)O1", "name": "104-61-0", "smiles": "CCCCCC1CCC(=O)O1", "molecular_weight": 156.225, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.2723000000000004, "unifac_groups": "{\"1\": 1, \"2\": 4, \"22\": 1, \"78\": 1, \"79\": 1}", "odor_description": null}
{"cas": "SMILES:O=COCc1ccccc1", "name": "benzyl formate", "smiles": "O=COCc1ccccc1", "molecular_weight": 136.14999999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.3596, "unifac_groups": "{\"12\": 1, \"23\": 1, \"9\": 5}", "odor_description": null}
{"cas": "SMILES:O=COCC=Cc1ccccc1", "name": "2-propen-1-ol, 3-phenyl-, 1-formate", "smiles": "O=COCC=Cc1ccccc1", "molecular_weight": 162.18799999999996, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.8728, "unifac_groups": "{\"10\": 1, \"2\": 1, \"23\": 1, \"6\": 1, \"9\": 5}", "odor_description": null}
{"cas": "SMILES:O=COCCc1ccccc1", "name": "2-phenylethyl formate", "smiles": "O=COCCc1ccccc1", "molecular_weight": 150.177, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.4021, "unifac_groups": "{\"12\": 1, \"2\": 1, \"23\": 1, \"9\": 5}", "odor_description": null}
{"cas": "SMILES:CCCCC(CC)CO", "name": "2-ethylhexan-1-ol", "smiles": "CCCCC(CC)CO", "molecular_weight": 130.231, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.1951000000000005, "unifac_groups": "{\"1\": 2, \"14\": 1, \"2\": 5, \"3\": 1}", "odor_description": null}
{"cas": "SMILES:Cc1ccc(C=O)cc1", "name": "p-tolualdehyde", "smiles": "Cc1ccc(C=O)cc1", "molecular_weight": 120.15099999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.80752, "unifac_groups": "{\"10\": 1, \"11\": 1, \"20\": 1, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:CCc1ccc(C)nc1", "name": "5-ethyl-2-methylpyridine", "smiles": "CCc1ccc(C)nc1", "molecular_weight": 121.18299999999996, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.95242, "unifac_groups": "{\"1\": 2, \"12\": 1, \"38\": 1, \"9\": 2}", "odor_description": null}
{"cas": "SMILES:COc1ccc(C)cc1", "name": "4-methylanisole", "smiles": "COc1ccc(C)cc1", "molecular_weight": 122.16699999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.0036199999999997, "unifac_groups": "{\"10\": 1, \"11\": 1, \"24\": 1, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:CCCC1CCC(=O)O1", "name": "gamma-heptalactone", "smiles": "CCCC1CCC(=O)O1", "molecular_weight": 128.171, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.4921, "unifac_groups": "{\"1\": 1, \"2\": 2, \"22\": 1, \"78\": 1, \"79\": 1}", "odor_description": null}
{"cas": "SMILES:CCOC(=O)CC", "name": "ethyl propionate", "smiles": "CCOC(=O)CC", "molecular_weight": 102.133, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.9595, "unifac_groups": "{\"1\": 2, \"2\": 1, \"22\": 1}", "odor_description": null}
{"cas": "SMILES:COc1ccc(CO)cc1", "name": "4-methoxybenzyl alcohol", "smiles": "COc1ccc(CO)cc1", "molecular_weight": 138.166, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.1874999999999998, "unifac_groups": "{\"10\": 1, \"12\": 1, \"14\": 1, \"24\": 1, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:CCC(C)CC(=O)O", "name": "3-methylvaleric acid", "smiles": "CCC(C)CC(=O)O", "molecular_weight": 116.15999999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.5072, "unifac_groups": "{\"1\": 2, \"2\": 2, \"3\": 1, \"42\": 1}", "odor_description": null}
{"cas": "SMILES:COC(=O)CC(C)=O", "name": "methyl acetoacetate", "smiles": "COC(=O)CC(C)=O", "molecular_weight": 116.11599999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.13849999999999996, "unifac_groups": "{\"1\": 1, \"18\": 1, \"22\": 1}", "odor_description": null}
{"cas": "SMILES:CCC(C)OC(C)=O", "name": "sec-butyl acetate", "smiles": "CCC(C)OC(C)=O", "molecular_weight": 116.15999999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.3479999999999999, "unifac_groups": "{\"1\": 2, \"2\": 1, \"21\": 1, \"3\": 1}", "odor_description": null}
{"cas": "SMILES:CCOC(=O)CC(=O)OCC", "name": "diethyl malonate", "smiles": "CCOC(=O)CC(=O)OCC", "molecular_weight": 160.16899999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.5027, "unifac_groups": "{\"1\": 2, \"2\": 2, \"22\": 1, \"77\": 1}", "odor_description": null}
{"cas": "SMILES:CCCC(=O)OCC", "name": "ethyl butyrate", "smiles": "CCCC(=O)OCC", "molecular_weight": 116.15999999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.3496000000000001, "unifac_groups": "{\"1\": 2, \"2\": 2, \"22\": 1}", "odor_description": null}
{"cas": "SMILES:O=C1CCCCCN1", "name": "azepan-2-one", "smiles": "O=C1CCCCCN1", "molecular_weight": 113.16, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.6766000000000001, "unifac_groups": "{\"100\": 1, \"78\": 4}", "odor_description": null}
{"cas": "SMILES:CCOC(C)OCC", "name": "acetal", "smiles": "CCOC(C)OCC", "molecular_weight": 118.176, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.4054, "unifac_groups": "{\"1\": 3, \"25\": 2, \"3\": 1}", "odor_description": null}
{"cas": "SMILES:Cc1ccc(O)c(C)c1", "name": "2,4-dimethylphenol", "smiles": "Cc1ccc(O)c(C)c1", "molecular_weight": 122.16699999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.0090399999999997, "unifac_groups": "{\"11\": 2, \"17\": 1, \"9\": 3}", "odor_description": null}
{"cas": "SMILES:CCCOC(=O)CCC", "name": "propyl butyrate", "smiles": "CCCOC(=O)CCC", "molecular_weight": 130.18699999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.7397, "unifac_groups": "{\"1\": 2, \"2\": 3, \"22\": 1}", "odor_description": null}
{"cas": "SMILES:CCC(=O)OCCC(C)C", "name": "isoamyl propionate", "smiles": "CCC(=O)OCCC(C)C", "molecular_weight": 144.21399999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.9857, "unifac_groups": "{\"1\": 3, \"2\": 2, \"22\": 1, \"3\": 1}", "odor_description": null}
{"cas": "SMILES:CC(C)CCCC(C)CCO", "name": "3,7-dimethyloctan-1-ol", "smiles": "CC(C)CCCC(C)CCO", "molecular_weight": 158.285, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.831200000000002, "unifac_groups": "{\"1\": 3, \"14\": 1, \"2\": 5, \"3\": 2}", "odor_description": null}
{"cas": "SMILES:CCCCCC(=O)OCC(C)C", "name": "isobutyl hexanoate", "smiles": "CCCCCC(=O)OCC(C)C", "molecular_weight": 172.26799999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.765900000000001, "unifac_groups": "{\"1\": 3, \"2\": 4, \"22\": 1, \"3\": 1}", "odor_description": null}
{"cas": "SMILES:CC(C)=CCCC(C)CCOC=O", "name": "citronellyl formate", "smiles": "CC(C)=CCCC(C)CCOC=O", "molecular_weight": 184.27899999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.9320000000000013, "unifac_groups": "{\"1\": 3, \"2\": 4, \"23\": 1, \"3\": 1, \"8\": 1}", "odor_description": null}
{"cas": "SMILES:C=C(C)CCCC(C)CCOC(=O)CC", "name": "rhodinyl propionate", "smiles": "C=C(C)CCCC(C)CCOC(=O)CC", "molecular_weight": 212.3329999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.712200000000003, "unifac_groups": "{\"1\": 3, \"2\": 5, \"22\": 1, \"3\": 1, \"7\": 1}", "odor_description": null}
{"cas": "SMILES:CC(C)=CCC[C@H](C)CCO", "name": "7540-51-4", "smiles": "CC(C)=CCC[C@H](C)CCO", "molecular_weight": 156.26899999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.751300000000001, "unifac_groups": "{\"1\": 3, \"14\": 1, \"2\": 4, \"3\": 1, \"8\": 1}", "odor_description": null}
{"cas": "SMILES:CC(C)=CCCC(C)CC=O", "name": "citronellal", "smiles": "CC(C)=CCCC(C)CC=O", "molecular_weight": 154.253, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.9579000000000013, "unifac_groups": "{\"1\": 3, \"2\": 3, \"20\": 1, \"3\": 1, \"8\": 1}", "odor_description": null}
{"cas": "SMILES:CCCOC(=O)CCCCC(=O)OCCC", "name": "dipropyl adipate", "smiles": "CCCOC(=O)CCCCC(=O)OCCC", "molecular_weight": 230.30399999999992, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.4532000000000007, "unifac_groups": "{\"1\": 2, \"2\": 6, \"22\": 2}", "odor_description": null}
{"cas": "SMILES:CCCCCCCCCCCCCCCCCC(=O)OCCOCCO", "name": "106-11-6", "smiles": "CCCCCCCCCCCCCCCCCC(=O)OCCOCCO", "molecular_weight": 372.59000000000015, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 5.800000000000007, "unifac_groups": "{\"1\": 1, \"14\": 1, \"2\": 18, \"22\": 1, \"25\": 1}", "odor_description": null}
{"cas": "SMILES:CCCC(=O)OCCC(C)C", "name": "isoamyl butyrate", "smiles": "CCCC(=O)OCCC(C)C", "molecular_weight": 158.24099999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.375800000000001, "unifac_groups": "{\"1\": 3, \"2\": 3, \"22\": 1, \"3\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCC(=O)CC", "name": "3-heptanone", "smiles": "CCCCC(=O)CC", "molecular_weight": 114.18799999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.1557000000000004, "unifac_groups": "{\"1\": 2, \"19\": 1, \"2\": 3}", "odor_description": null}
{"cas": "SMILES:CCCCCCC(=O)OCC", "name": "ethyl heptanoate", "smiles": "CCCCCCC(=O)OCC", "molecular_weight": 158.24099999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.5199000000000007, "unifac_groups": "{\"1\": 2, \"2\": 5, \"22\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCCCCC(=O)OCC", "name": "ethyl octanoate", "smiles": "CCCCCCCC(=O)OCC", "molecular_weight": 172.26799999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.910000000000001, "unifac_groups": "{\"1\": 2, \"2\": 6, \"22\": 1}", "odor_description": null}
{"cas": "SMILES:COC(=O)CCC(=O)OC", "name": "dimethyl succinate", "smiles": "COC(=O)CCC(=O)OC", "molecular_weight": 146.142, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.11259999999999981, "unifac_groups": "{\"1\": 2, \"22\": 2}", "odor_description": null}
{"cas": "SMILES:CCCOC(=O)CC", "name": "propyl propionate", "smiles": "CCCOC(=O)CC", "molecular_weight": 116.15999999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.3496000000000001, "unifac_groups": "{\"1\": 2, \"2\": 2, \"22\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCCCCCCCCC(=O)OCC", "name": "ethyl laurate", "smiles": "CCCCCCCCCCCC(=O)OCC", "molecular_weight": 228.37599999999995, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 4.470400000000004, "unifac_groups": "{\"1\": 2, \"2\": 10, \"22\": 1}", "odor_description": null}
{"cas": "SMILES:C=CC=O", "name": "acrolein", "smiles": "C=CC=O", "molecular_weight": 56.064, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.37129999999999996, "unifac_groups": "{\"20\": 1, \"5\": 1}", "odor_description": null}
{"cas": "SMILES:C#CCO", "name": "propargyl alcohol", "smiles": "C#CCO", "molecular_weight": 56.064, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": -0.3881, "unifac_groups": "{\"14\": 1, \"2\": 1, \"65\": 1}", "odor_description": null}
{"cas": "SMILES:C=CCO", "name": "allyl alcohol", "smiles": "C=CCO", "molecular_weight": 58.08, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.1647, "unifac_groups": "{\"14\": 1, \"2\": 1, \"5\": 1}", "odor_description": null}
{"cas": "SMILES:CCCS", "name": "1-propanethiol", "smiles": "CCCS", "molecular_weight": 76.16399999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.3262, "unifac_groups": "{\"1\": 1, \"2\": 1, \"60\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCCC(=O)OC", "name": "methyl hexanoate", "smiles": "CCCCCC(=O)OC", "molecular_weight": 130.18699999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.7397, "unifac_groups": "{\"1\": 2, \"2\": 3, \"22\": 1}", "odor_description": null}
{"cas": "SMILES:O=CC=O", "name": "glyoxal", "smiles": "O=CC=O", "molecular_weight": 58.036, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": -0.6158000000000001, "unifac_groups": "{\"20\": 2}", "odor_description": null}
{"cas": "SMILES:CCCN", "name": "propylamine", "smiles": "CCCN", "molecular_weight": 59.11199999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.3551000000000001, "unifac_groups": "{\"1\": 1, \"2\": 1, \"29\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCCCC(=O)OC", "name": "methyl heptanoate", "smiles": "CCCCCCC(=O)OC", "molecular_weight": 144.214, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.1298000000000004, "unifac_groups": "{\"1\": 2, \"2\": 4, \"22\": 1}", "odor_description": null}
{"cas": "SMILES:COC=O", "name": "methyl formate", "smiles": "COC=O", "molecular_weight": 60.05200000000001, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": -0.2108000000000001, "unifac_groups": "{\"1\": 1, \"23\": 1}", "odor_description": null}
{"cas": "SMILES:CC(O)CC(C)(C)O", "name": "hexylene glycol", "smiles": "CC(O)CC(C)(C)O", "molecular_weight": 118.17599999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.5282, "unifac_groups": "{\"1\": 3, \"2\": 1, \"3\": 1, \"4\": 1, \"81\": 1, \"82\": 1}", "odor_description": null}
{"cas": "SMILES:CC(CC=O)CCCC(C)(C)O", "name": "hydroxycitronellal", "smiles": "CC(CC=O)CCCC(C)(C)O", "molecular_weight": 172.268, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.1527000000000003, "unifac_groups": "{\"1\": 3, \"2\": 4, \"20\": 1, \"3\": 1, \"4\": 1, \"82\": 1}", "odor_description": null}
{"cas": "SMILES:CC(O)CCO", "name": "1,3-butanediol", "smiles": "CC(O)CCO", "molecular_weight": 90.12199999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": -0.25039999999999996, "unifac_groups": "{\"1\": 1, \"14\": 1, \"2\": 2, \"3\": 1, \"81\": 1}", "odor_description": null}
{"cas": "SMILES:CC(C)CC(C)O", "name": "4-methyl-2-pentanol", "smiles": "CC(C)CC(C)O", "molecular_weight": 102.17699999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.4133, "unifac_groups": "{\"1\": 3, \"2\": 1, \"3\": 2, \"81\": 1}", "odor_description": null}
{"cas": "SMILES:CC(C)CCN", "name": "isoamylamine", "smiles": "CC(C)CCN", "molecular_weight": 87.16600000000001, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.9912000000000001, "unifac_groups": "{\"1\": 2, \"2\": 1, \"29\": 1, \"3\": 1}", "odor_description": null}
{"cas": "SMILES:CCCC(C)=O", "name": "2-pentanone", "smiles": "CCCC(C)=O", "molecular_weight": 86.13399999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.3755, "unifac_groups": "{\"1\": 2, \"19\": 1, \"2\": 1}", "odor_description": null}
{"cas": "SMILES:CC(=O)CC(C)C", "name": "4-methyl-2-pentanone", "smiles": "CC(=O)CC(C)C", "molecular_weight": 100.16099999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.6215, "unifac_groups": "{\"1\": 3, \"19\": 1, \"3\": 1}", "odor_description": null}
{"cas": "SMILES:CC(=O)OC(C)C", "name": "isopropyl acetate", "smiles": "CC(=O)OC(C)C", "molecular_weight": 102.133, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.9579, "unifac_groups": "{\"1\": 2, \"21\": 1, \"3\": 1}", "odor_description": null}
{"cas": "SMILES:C=C(C)OC(C)=O", "name": "isopropenyl acetate", "smiles": "C=C(C)OC(C)=O", "molecular_weight": 100.11699999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.0831, "unifac_groups": "{\"1\": 1, \"21\": 1, \"7\": 1}", "odor_description": null}
{"cas": "SMILES:Cc1ccnc(C)c1", "name": "2,4-lutidine", "smiles": "Cc1ccnc(C)c1", "molecular_weight": 107.15599999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.69844, "unifac_groups": "{\"1\": 1, \"11\": 1, \"38\": 1, \"9\": 2}", "odor_description": null}
{"cas": "SMILES:CC1COC(=O)O1", "name": "propylene carbonate", "smiles": "CC1COC(=O)O1", "molecular_weight": 102.08899999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.5417000000000001, "unifac_groups": "{\"1\": 1, \"77\": 1, \"79\": 1, \"83\": 1}", "odor_description": null}
{"cas": "SMILES:CC1CCC(=O)O1", "name": "gamma-valerolactone", "smiles": "CC1CCC(=O)O1", "molecular_weight": 100.11699999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.7119, "unifac_groups": "{\"1\": 1, \"22\": 1, \"78\": 1, \"79\": 1}", "odor_description": null}
{"cas": "SMILES:Cc1cccc(C)c1", "name": "m-xylene", "smiles": "Cc1cccc(C)c1", "molecular_weight": 106.16799999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.30344, "unifac_groups": "{\"11\": 2, \"9\": 4}", "odor_description": null}
{"cas": "SMILES:Cc1cncc(C)n1", "name": "2,6-dimethylpyrazine", "smiles": "Cc1cncc(C)n1", "molecular_weight": 108.14399999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.0934399999999997, "unifac_groups": "{\"1\": 2, \"37\": 1, \"39\": 1}", "odor_description": null}
{"cas": "SMILES:Cc1cccc(C)n1", "name": "2,6-dimethylpyridine", "smiles": "Cc1cccc(C)n1", "molecular_weight": 107.15599999999996, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.69844, "unifac_groups": "{\"1\": 2, \"39\": 1, \"9\": 3}", "odor_description": null}
{"cas": "SMILES:OC1CCCCC1", "name": "cyclohexanol", "smiles": "OC1CCCCC1", "molecular_weight": 100.161, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.3114, "unifac_groups": "{\"78\": 5, \"79\": 1, \"81\": 1}", "odor_description": null}
{"cas": "SMILES:CC(C)CC(O)CC(C)C", "name": "2,6-dimethylheptan-4-ol", "smiles": "CC(C)CC(O)CC(C)C", "molecular_weight": 144.25799999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.439500000000001, "unifac_groups": "{\"1\": 4, \"2\": 2, \"3\": 3, \"81\": 1}", "odor_description": null}
{"cas": "SMILES:CCOC(=O)CC(C)C", "name": "ethyl isovalerate", "smiles": "CCOC(=O)CC(C)C", "molecular_weight": 130.18699999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.5956000000000001, "unifac_groups": "{\"1\": 3, \"2\": 1, \"22\": 1, \"3\": 1}", "odor_description": null}
{"cas": "SMILES:COC(=O)CC(=O)OC", "name": "dimethyl malonate", "smiles": "COC(=O)CC(=O)OC", "molecular_weight": 132.115, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": -0.2775000000000001, "unifac_groups": "{\"1\": 2, \"22\": 1, \"77\": 1}", "odor_description": null}
{"cas": "SMILES:O=C1CCCCC1", "name": "cyclohexanone", "smiles": "O=C1CCCCC1", "molecular_weight": 98.145, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.5196, "unifac_groups": "{\"19\": 1, \"78\": 4}", "odor_description": null}
{"cas": "SMILES:CC(C)CC(=O)CC(C)C", "name": "2,6-dimethyl-4-heptanone", "smiles": "CC(C)CC(=O)CC(C)C", "molecular_weight": 142.242, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.6477000000000013, "unifac_groups": "{\"1\": 4, \"19\": 1, \"2\": 1, \"3\": 2}", "odor_description": null}
{"cas": "SMILES:CC(=O)OC(C)CC(C)C", "name": "1,3-dimethylbutyl acetate", "smiles": "CC(=O)OC(C)CC(C)C", "molecular_weight": 144.21399999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.9841, "unifac_groups": "{\"1\": 3, \"2\": 1, \"21\": 1, \"3\": 2}", "odor_description": null}
{"cas": "SMILES:CC1CCCCN1", "name": "2-methylpiperidine", "smiles": "CC1CCCCN1", "molecular_weight": 99.177, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.1484, "unifac_groups": "{\"1\": 1, \"32\": 1, \"78\": 3, \"79\": 1}", "odor_description": null}
{"cas": "SMILES:Cc1cnccn1", "name": "2-methylpyrazine", "smiles": "Cc1cnccn1", "molecular_weight": 94.11699999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.7850199999999999, "unifac_groups": "{\"1\": 1, \"37\": 1, \"38\": 1}", "odor_description": null}
{"cas": "SMILES:Cc1ccccn1", "name": "2-methylpyridine", "smiles": "Cc1ccccn1", "molecular_weight": 93.129, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.39002, "unifac_groups": "{\"1\": 1, \"38\": 1, \"9\": 3}", "odor_description": null}
{"cas": "SMILES:CCCCOC(=O)CC(C)C", "name": "butyl isovalerate", "smiles": "CCCCOC(=O)CC(C)C", "molecular_weight": 158.24099999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.375800000000001, "unifac_groups": "{\"1\": 3, \"2\": 3, \"22\": 1, \"3\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCOC(=O)CCC", "name": "butyl butyrate", "smiles": "CCCCOC(=O)CCC", "molecular_weight": 144.21399999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.1298000000000004, "unifac_groups": "{\"1\": 2, \"2\": 4, \"22\": 1}", "odor_description": null}
{"cas": "SMILES:O=C1CCCCCCCCCCCCCCCO1", "name": "16-hexadecanolide", "smiles": "O=C1CCCCCCCCCCCCCCCO1", "molecular_weight": 254.4139999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 5.004600000000005, "unifac_groups": "{\"22\": 1, \"78\": 14}", "odor_description": null}
{"cas": "SMILES:C=CCCC(C)=O", "name": "5-hexen-2-one", "smiles": "C=CCCC(C)=O", "molecular_weight": 98.145, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.5415999999999999, "unifac_groups": "{\"1\": 1, \"19\": 1, \"2\": 1, \"5\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCOC(=O)CCCCCCCCC(=O)OCCCC", "name": "dibutyl sebacate", "smiles": "CCCCOC(=O)CCCCCCCCC(=O)OCCCC", "molecular_weight": 314.46600000000007, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 4.7938000000000045, "unifac_groups": "{\"1\": 2, \"2\": 12, \"22\": 2}", "odor_description": null}
{"cas": "SMILES:CCCCC(=O)O", "name": "valeric acid", "smiles": "CCCCC(=O)O", "molecular_weight": 102.13299999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.2612, "unifac_groups": "{\"1\": 1, \"2\": 3, \"42\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCN", "name": "butylamine", "smiles": "CCCCN", "molecular_weight": 73.139, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.7452000000000001, "unifac_groups": "{\"1\": 1, \"2\": 2, \"29\": 1}", "odor_description": null}
{"cas": "SMILES:CCCOC(C)=O", "name": "propyl acetate", "smiles": "CCCOC(C)=O", "molecular_weight": 102.13299999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.9595, "unifac_groups": "{\"1\": 1, \"2\": 2, \"21\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCS", "name": "1-butanethiol", "smiles": "CCCCS", "molecular_weight": 90.19099999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.7163, "unifac_groups": "{\"1\": 1, \"2\": 2, \"60\": 1}", "odor_description": null}
{"cas": "SMILES:SCCCS", "name": "1,3-propanedithiol", "smiles": "SCCCS", "molecular_weight": 108.23100000000001, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.2361, "unifac_groups": "{\"2\": 1, \"60\": 2}", "odor_description": null}
{"cas": "SMILES:COCOC", "name": "dimethoxymethane", "smiles": "COCOC", "molecular_weight": 76.095, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.23670000000000002, "unifac_groups": "{\"2\": 1, \"24\": 2}", "odor_description": null}
{"cas": "SMILES:CCOC=O", "name": "ethyl formate", "smiles": "CCOC=O", "molecular_weight": 74.07900000000001, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.17930000000000001, "unifac_groups": "{\"1\": 1, \"2\": 1, \"23\": 1}", "odor_description": null}
{"cas": "SMILES:CCNCC", "name": "diethylamine", "smiles": "CCNCC", "molecular_weight": 73.139, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.6157999999999999, "unifac_groups": "{\"1\": 2, \"2\": 1, \"32\": 1}", "odor_description": null}
{"cas": "SMILES:c1ccsc1", "name": "thiophene", "smiles": "c1ccsc1", "molecular_weight": 84.14299999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.7480999999999998, "unifac_groups": "{\"104\": 1, \"9\": 2}", "odor_description": null}
{"cas": "SMILES:CC(=O)OCC(C)C", "name": "isobutyl acetate", "smiles": "CC(=O)OCC(C)C", "molecular_weight": 116.15999999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.2055, "unifac_groups": "{\"1\": 2, \"2\": 1, \"21\": 1, \"3\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCCCCCCCCCCC(=O)OC(C)C", "name": "isopropyl myristate", "smiles": "CCCCCCCCCCCCCC(=O)OC(C)C", "molecular_weight": 270.45699999999994, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 5.639100000000005, "unifac_groups": "{\"1\": 3, \"2\": 11, \"22\": 1, \"3\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCCCCCCC(=O)OCC", "name": "ethyl decanoate", "smiles": "CCCCCCCCCC(=O)OCC", "molecular_weight": 200.32199999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.6902000000000026, "unifac_groups": "{\"1\": 2, \"2\": 8, \"22\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCCCCCCCCCCC(=O)OCCCC", "name": "butyl myristate", "smiles": "CCCCCCCCCCCCCC(=O)OCCCC", "molecular_weight": 284.484, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 6.030800000000006, "unifac_groups": "{\"1\": 2, \"2\": 14, \"22\": 1}", "odor_description": null}
{"cas": "SMILES:CC(C)CCOC=O", "name": "isopentyl formate", "smiles": "CC(C)CCOC=O", "molecular_weight": 116.15999999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.2055, "unifac_groups": "{\"1\": 2, \"2\": 2, \"23\": 1, \"3\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCCC(C)=O", "name": "2-heptanone", "smiles": "CCCCCC(C)=O", "molecular_weight": 114.18799999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.1557000000000004, "unifac_groups": "{\"1\": 2, \"19\": 1, \"2\": 3}", "odor_description": null}
{"cas": "SMILES:CCOC(=O)CCCCCCCCC(=O)OCC", "name": "diethyl decanedioate", "smiles": "CCOC(=O)CCCCCCCCC(=O)OCC", "molecular_weight": 258.3579999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.2334000000000023, "unifac_groups": "{\"1\": 2, \"2\": 8, \"22\": 2}", "odor_description": null}
{"cas": "SMILES:CCCCCCCCCC(=O)OC", "name": "methyl decanoate", "smiles": "CCCCCCCCCC(=O)OC", "molecular_weight": 186.295, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.3001000000000023, "unifac_groups": "{\"1\": 2, \"2\": 7, \"22\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCC=O", "name": "valeraldehyde", "smiles": "CCCCC=O", "molecular_weight": 86.13399999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.3755, "unifac_groups": "{\"1\": 1, \"2\": 3, \"20\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCCN", "name": "amylamine", "smiles": "CCCCCN", "molecular_weight": 87.16600000000001, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.1353, "unifac_groups": "{\"1\": 1, \"2\": 3, \"29\": 1}", "odor_description": null}
{"cas": "SMILES:CCSSCC", "name": "diethyl disulfide", "smiles": "CCSSCC", "molecular_weight": 122.258, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.4076000000000004, "unifac_groups": "{\"1\": 2, \"2\": 2, \"201\": 1}", "odor_description": null}
{"cas": "SMILES:CCCOC=O", "name": "propyl formate", "smiles": "CCCOC=O", "molecular_weight": 88.10599999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.5694, "unifac_groups": "{\"1\": 1, \"2\": 2, \"23\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCCS", "name": "1-pentanethiol", "smiles": "CCCCCS", "molecular_weight": 104.218, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.1064000000000003, "unifac_groups": "{\"1\": 1, \"2\": 3, \"60\": 1}", "odor_description": null}
{"cas": "SMILES:C1CCNCC1", "name": "piperidine", "smiles": "C1CCNCC1", "molecular_weight": 85.15, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.7599, "unifac_groups": "{\"32\": 1, \"78\": 4}", "odor_description": null}
{"cas": "SMILES:CC(O)CNCC(C)O", "name": "diisopropanolamine", "smiles": "CC(O)CNCC(C)O", "molecular_weight": 133.191, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": -0.6623999999999998, "unifac_groups": "{\"1\": 2, \"2\": 1, \"3\": 2, \"32\": 1, \"81\": 2}", "odor_description": null}
{"cas": "SMILES:CC(O)COCC(C)O", "name": "110-98-5", "smiles": "CC(O)COCC(C)O", "molecular_weight": 134.17499999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": -0.23540000000000016, "unifac_groups": "{\"1\": 2, \"2\": 1, \"25\": 1, \"3\": 2, \"81\": 2}", "odor_description": null}
{"cas": "SMILES:CCCCCCO", "name": "1-hexanol", "smiles": "CCCCCCO", "molecular_weight": 102.17699999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.559, "unifac_groups": "{\"1\": 1, \"14\": 1, \"2\": 5}", "odor_description": null}
{"cas": "SMILES:CCCCCCCC(=O)OC", "name": "methyl octanoate", "smiles": "CCCCCCCC(=O)OC", "molecular_weight": 158.24099999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.5199000000000007, "unifac_groups": "{\"1\": 2, \"2\": 5, \"22\": 1}", "odor_description": null}
{"cas": "SMILES:CC=CC=CCO", "name": "hexa-2,4-dien-1-ol", "smiles": "CC=CC=CCO", "molecular_weight": 98.145, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.111, "unifac_groups": "{\"1\": 1, \"14\": 1, \"2\": 1, \"6\": 2}", "odor_description": null}
{"cas": "SMILES:CCCCCCC(C)=O", "name": "2-octanone", "smiles": "CCCCCCC(C)=O", "molecular_weight": 128.21499999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.5458000000000007, "unifac_groups": "{\"1\": 2, \"19\": 1, \"2\": 4}", "odor_description": null}
{"cas": "SMILES:CCCCCCC(=O)O", "name": "heptanoic acid", "smiles": "CCCCCCC(=O)O", "molecular_weight": 130.187, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.0414, "unifac_groups": "{\"1\": 1, \"2\": 5, \"42\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCCC#CC(=O)OC", "name": "methyl 2-octynoate", "smiles": "CCCCCC#CC(=O)OC", "molecular_weight": 154.20899999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.7431, "unifac_groups": "{\"1\": 2, \"2\": 4, \"66\": 1, \"77\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCCCN", "name": "hexylamine", "smiles": "CCCCCCN", "molecular_weight": 101.19300000000001, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.5253999999999999, "unifac_groups": "{\"1\": 1, \"2\": 4, \"29\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCCCS", "name": "1-hexanethiol", "smiles": "CCCCCCS", "molecular_weight": 118.24499999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.4965000000000015, "unifac_groups": "{\"1\": 1, \"2\": 4, \"60\": 1}", "odor_description": null}
{"cas": "SMILES:NCCNCCO", "name": "2-(2-aminoethylamino)ethanol", "smiles": "NCCNCCO", "molecular_weight": 104.153, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": -1.4729999999999992, "unifac_groups": "{\"14\": 1, \"2\": 2, \"29\": 1, \"32\": 1}", "odor_description": null}
{"cas": "SMILES:OCCNCCO", "name": "diethanolamine", "smiles": "OCCNCCO", "molecular_weight": 105.137, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": -1.4394, "unifac_groups": "{\"14\": 2, \"2\": 3, \"32\": 1}", "odor_description": null}
{"cas": "SMILES:C=CCOCCO", "name": "2-allyloxyethanol", "smiles": "C=CCOCCO", "molecular_weight": 102.133, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.18129999999999996, "unifac_groups": "{\"14\": 1, \"2\": 2, \"25\": 1, \"5\": 1}", "odor_description": null}
{"cas": "SMILES:C=CCCCCCC", "name": "1-octene", "smiles": "C=CCCCCCC", "molecular_weight": 112.216, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.142800000000002, "unifac_groups": "{\"1\": 1, \"2\": 5, \"5\": 1}", "odor_description": null}
{"cas": "SMILES:CC(=O)OCCOC(C)=O", "name": "ethylene glycol diacetate", "smiles": "CC(=O)OCCOC(C)=O", "molecular_weight": 146.142, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.11260000000000003, "unifac_groups": "{\"2\": 2, \"21\": 2}", "odor_description": null}
{"cas": "SMILES:OCCOCCO", "name": "diethylene glycol", "smiles": "OCCOCCO", "molecular_weight": 106.12099999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": -1.0124, "unifac_groups": "{\"14\": 2, \"2\": 3, \"25\": 1}", "odor_description": null}
{"cas": "SMILES:CCCSCCC", "name": "propyl sulfide", "smiles": "CCCSCCC", "molecular_weight": 118.24499999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.539600000000001, "unifac_groups": "{\"1\": 2, \"123\": 1, \"2\": 3}", "odor_description": null}
{"cas": "SMILES:CCCCCCCO", "name": "1-heptanol", "smiles": "CCCCCCCO", "molecular_weight": 116.204, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.9491, "unifac_groups": "{\"1\": 1, \"14\": 1, \"2\": 6}", "odor_description": null}
{"cas": "SMILES:CCCCCCCCCCCCCCCCCC(=O)OCC", "name": "ethyl stearate", "smiles": "CCCCCCCCCCCCCCCCCC(=O)OCC", "molecular_weight": 312.538, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 6.811000000000008, "unifac_groups": "{\"1\": 2, \"2\": 16, \"22\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCCCC=O", "name": "heptanal", "smiles": "CCCCCCC=O", "molecular_weight": 114.18799999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.1557000000000004, "unifac_groups": "{\"1\": 1, \"2\": 5, \"20\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCCCCCC", "name": "nonane", "smiles": "CCCCCCCCC", "molecular_weight": 128.259, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.7569000000000026, "unifac_groups": "{\"1\": 2, \"2\": 7}", "odor_description": null}
{"cas": "SMILES:COCCOCCO", "name": "2-(2-methoxyethoxy)ethanol", "smiles": "COCCOCCO", "molecular_weight": 120.148, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": -0.3583, "unifac_groups": "{\"1\": 1, \"14\": 1, \"2\": 2, \"25\": 2}", "odor_description": null}
{"cas": "SMILES:CCCCCCC=CC(=O)OC", "name": "nonenoic acid, methyl ester", "smiles": "CCCCCCC=CC(=O)OC", "molecular_weight": 170.25199999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.686000000000001, "unifac_groups": "{\"1\": 2, \"2\": 5, \"6\": 1, \"77\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCCCC#CC(=O)OC", "name": "methyl 2-nonynoate", "smiles": "CCCCCCC#CC(=O)OC", "molecular_weight": 168.236, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.1332000000000004, "unifac_groups": "{\"1\": 2, \"2\": 5, \"66\": 1, \"77\": 1}", "odor_description": null}
{"cas": "SMILES:C=CCCCCCCCCC(=O)OC", "name": "methyl undec-10-enoate", "smiles": "C=CCCCCCCCCC(=O)OC", "molecular_weight": 198.30599999999995, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.4662000000000024, "unifac_groups": "{\"1\": 1, \"2\": 7, \"22\": 1, \"5\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCCCCCS", "name": "1-octanethiol", "smiles": "CCCCCCCCS", "molecular_weight": 146.299, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.276700000000003, "unifac_groups": "{\"1\": 1, \"2\": 6, \"60\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCCCCCCCCC(=O)OC", "name": "methyl laurate", "smiles": "CCCCCCCCCCCC(=O)OC", "molecular_weight": 214.34899999999996, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 4.080300000000003, "unifac_groups": "{\"1\": 2, \"2\": 9, \"22\": 1}", "odor_description": null}
{"cas": "SMILES:CCOCCOCCO", "name": "diethylene glycol monoethyl ether", "smiles": "CCOCCOCCO", "molecular_weight": 134.175, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.031799999999999884, "unifac_groups": "{\"1\": 1, \"14\": 1, \"2\": 3, \"25\": 2}", "odor_description": null}
{"cas": "SMILES:CCCCCCCCC(=O)O", "name": "nonanoic acid", "smiles": "CCCCCCCCC(=O)O", "molecular_weight": 158.241, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.821600000000001, "unifac_groups": "{\"1\": 1, \"2\": 7, \"42\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCCCCCCC(C)=O", "name": "2-undecanone", "smiles": "CCCCCCCCCC(C)=O", "molecular_weight": 170.296, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.7161000000000026, "unifac_groups": "{\"1\": 2, \"19\": 1, \"2\": 7}", "odor_description": null}
{"cas": "SMILES:CCCCCCCCOC(C)=O", "name": "octyl acetate", "smiles": "CCCCCCCCOC(C)=O", "molecular_weight": 172.268, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.910000000000002, "unifac_groups": "{\"1\": 1, \"2\": 7, \"21\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCCCCOC(C)=O", "name": "heptyl acetate", "smiles": "CCCCCCCOC(C)=O", "molecular_weight": 158.24099999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.5199000000000007, "unifac_groups": "{\"1\": 1, \"2\": 6, \"21\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCCCCOC=O", "name": "heptyl formate", "smiles": "CCCCCCCOC=O", "molecular_weight": 144.214, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.1298000000000004, "unifac_groups": "{\"1\": 1, \"2\": 6, \"23\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCCCCCCCO", "name": "1-decanol", "smiles": "CCCCCCCCCCO", "molecular_weight": 158.285, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.119400000000002, "unifac_groups": "{\"1\": 1, \"14\": 1, \"2\": 9}", "odor_description": null}
{"cas": "SMILES:CCCCCCCCCC=O", "name": "decanal", "smiles": "CCCCCCCCCC=O", "molecular_weight": 156.269, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.3260000000000023, "unifac_groups": "{\"1\": 1, \"2\": 8, \"20\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCCCCCCCOC(C)=O", "name": "decyl acetate", "smiles": "CCCCCCCCCCOC(C)=O", "molecular_weight": 200.32199999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.6902000000000026, "unifac_groups": "{\"1\": 1, \"2\": 9, \"21\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCCCCCOC=O", "name": "octyl formate", "smiles": "CCCCCCCCOC=O", "molecular_weight": 158.241, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.5199000000000007, "unifac_groups": "{\"1\": 1, \"2\": 7, \"23\": 1}", "odor_description": null}
{"cas": "SMILES:CCCCCCCCCCC(=O)O", "name": "undecanoic acid", "smiles": "CCCCCCCCCCC(=O)O", "molecular_weight": 186.295, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.6018000000000017, "unifac_groups": "{\"1\": 1, \"2\": 9, \"42\": 1}", "odor_description": null}
{"cas": "SMILES:C=CCCCCCCCCCO", "name": "10-undecen-1-ol", "smiles": "C=CCCCCCCCCCO", "molecular_weight": 170.296, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.285500000000002, "unifac_groups": "{\"14\": 1, \"2\": 9, \"5\": 1}", "odor_description": null}
{"cas": "54452-50-3", "name": "Iso E Super (OTNE)", "smiles": "CC(C=O)CC1CC(C)CCC1C(C)C", "molecular_weight": 210.361, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.919900000000003, "unifac_groups": "{\"1\": 4, \"2\": 1, \"20\": 1, \"3\": 2, \"78\": 3, \"79\": 3}", "odor_description": null}
{"cas": "68039-33-4", "name": "Timbersilk (Iso Myrcetone gamma)", "smiles": "CC(C)=CCCC(C)C1CC=C(C)CC1", "molecular_weight": 206.37299999999996, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 5.115300000000005, "unifac_groups": "{\"1\": 4, \"2\": 2, \"3\": 1, \"78\": 3, \"79\": 1, \"8\": 2}", "odor_description": null}
{"cas": "142-62-3", "name": "Ambrettolide", "smiles": "O=C1CCCCCCCCCCCO1", "molecular_weight": 198.30599999999995, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.444200000000002, "unifac_groups": "{\"22\": 1, \"78\": 10}", "odor_description": null}
{"cas": "111-79-5", "name": "Habanolide", "smiles": "O=C1CCCCCCCCCO1", "molecular_weight": 170.25199999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.6640000000000006, "unifac_groups": "{\"22\": 1, \"78\": 8}", "odor_description": null}
{"cas": "6790-58-9", "name": "Ambroxan 10%", "smiles": "CC1(C)C[C@@]2(C)CC[C@H]1CC2=O", "molecular_weight": 166.26399999999998, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.791800000000001, "unifac_groups": "{\"1\": 3, \"19\": 1, \"78\": 3, \"79\": 1, \"80\": 2}", "odor_description": null}
{"cas": "127-42-4", "name": "Methyl ionone gamma", "smiles": "CC(=O)/C=C/C1C(C)=CCCC1(C)C", "molecular_weight": 192.30199999999994, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.5141000000000027, "unifac_groups": "{\"1\": 3, \"18\": 1, \"6\": 1, \"78\": 2, \"79\": 1, \"8\": 1, \"80\": 1}", "odor_description": null}
{"cas": "17283-81-7", "name": "Dihydro ionone beta", "smiles": "CC(=O)CCC1C(C)=CCCC1(C)C", "molecular_weight": 194.31799999999996, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.738100000000003, "unifac_groups": "{\"1\": 4, \"19\": 1, \"2\": 1, \"78\": 2, \"79\": 1, \"8\": 1, \"80\": 1}", "odor_description": null}
{"cas": "110-17-8", "name": "fumaric acid", "smiles": "C(=CC(=O)O)C(=O)O", "molecular_weight": 116.07, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": -0.28819999999999985, "unifac_groups": "{\"42\": 2, \"6\": 1}", "odor_description": null}
{"cas": "91-64-5", "name": "Coumarin", "smiles": "O=c1ccc2ccccc2o1", "molecular_weight": 146.14499999999998, "boiling_point_k": 572.15, "vapor_pressure_pa": 13.332239999999999, "odor_threshold_ug_m3": null, "logp": 1.793, "unifac_groups": "{}", "odor_description": "at 10.00 % in dipropylene glycol. sweet hay tonka new mown hay Luebke, William"}
{"cas": "928-96-1", "name": "cis-3-Hexenol", "smiles": "CC/C=C/CCO", "molecular_weight": 100.161, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.335, "unifac_groups": "{\"1\": 1, \"14\": 1, \"2\": 3, \"6\": 1}", "odor_description": null}
{"cas": "928-97-2", "name": "cis-3-Hexenyl acetate", "smiles": "CC/C=C/CCOC(C)=O", "molecular_weight": 142.198, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.9058, "unifac_groups": "{\"1\": 1, \"2\": 3, \"21\": 1, \"6\": 1}", "odor_description": null}
{"cas": "140-67-0", "name": "Estragole", "smiles": "C=CCc1ccc(OC)cc1", "molecular_weight": 148.205, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.4237, "unifac_groups": "{\"10\": 1, \"12\": 1, \"24\": 1, \"5\": 1, \"9\": 4}", "odor_description": null}
{"cas": "674-86-6", "name": "Linalool oxide", "smiles": "CC1(C)CC=C(CO)CC1", "molecular_weight": 140.22599999999997, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.1151999999999997, "unifac_groups": "{\"1\": 2, \"14\": 1, \"2\": 1, \"78\": 3, \"8\": 1, \"80\": 1}", "odor_description": null}
{"cas": "110-44-1", "name": "Sorbic acid", "smiles": "CC=CC=CC(=O)O", "molecular_weight": 112.12799999999999, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.2033, "unifac_groups": "{\"1\": 1, \"42\": 1, \"6\": 2}", "odor_description": null}
{"cas": "119-64-2", "name": "Tetrahydroquinoline", "smiles": "c1ccc2c(c1)CCCN2", "molecular_weight": 133.194, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.0446999999999997, "unifac_groups": "{\"10\": 2, \"32\": 1, \"78\": 2, \"9\": 4}", "odor_description": null}
{"cas": "89-43-0", "name": "Anthranilic acid", "smiles": "Nc1ccccc1C(=O)O", "molecular_weight": 137.138, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 0.9670000000000001, "unifac_groups": "{\"10\": 1, \"36\": 1, \"42\": 1, \"9\": 4}", "odor_description": null}
{"cas": "121-34-6", "name": "Ethyl vanillin", "smiles": "CCOc1cc(C=O)ccc1O", "molecular_weight": 166.176, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 1.6034, "unifac_groups": "{\"1\": 1, \"10\": 2, \"17\": 1, \"20\": 1, \"25\": 1, \"9\": 3}", "odor_description": null}
{"cas": "89-86-1", "name": "Beta-thujone", "smiles": "CC12CCC(C1)C(C)(C)C2=O", "molecular_weight": 152.237, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.401700000000001, "unifac_groups": "{}", "odor_description": null}
{"cas": "106-26-3", "name": "Neral", "smiles": "CC(C)=CCC/C(C)=C/C=O", "molecular_weight": 152.237, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.878000000000001, "unifac_groups": "{\"1\": 3, \"2\": 2, \"20\": 1, \"8\": 2}", "odor_description": null}
{"cas": "117-98-6", "name": "Vetiveryl acetate", "smiles": "CC(=O)OC1CC2CCC(C)C(C)C2C1", "molecular_weight": 210.317, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.0103000000000018, "unifac_groups": "{\"1\": 2, \"21\": 1, \"78\": 4, \"79\": 5}", "odor_description": null}
{"cas": "89-78-1", "name": "Menthol", "smiles": "CC1CCC(C(C)C)C(O)C1", "molecular_weight": 156.269, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.439500000000001, "unifac_groups": "{\"1\": 3, \"3\": 1, \"78\": 3, \"79\": 3, \"81\": 1}", "odor_description": null}
{"cas": "80-56-8", "name": "ALPHA-PINENE", "smiles": "CC1=CCC2CC1C2(C)C", "molecular_weight": 136.23, "boiling_point_k": 428.65, "vapor_pressure_pa": 633.2814, "odor_threshold_ug_m3": null, "logp": 2.9987000000000013, "unifac_groups": "{\"1\": 3, \"78\": 2, \"79\": 2, \"8\": 1, \"80\": 1}", "odor_description": "Woody, piney and turpentine-like, with a slight cooling camphoraceous nuance and a fresh herbal lift Mosciano, Gerard P&F 25, No. 6, 26, (2000) Flavor Type: woody woody pine terpenic camphoreous herbal spicy tropical Taste Description: at 5.00 - 100.00 ppm. Intense woody, piney and terpy with camphoraceous and turpentine note. It has herbal, spicy and slightly tropical nuances Mosciano, Gerard P&F 25, No. 6, 26, (2000) Odor and/or flavor descriptions from others (if found). Takasago Pinene Alpha Biobased 100% Odor Description: Dry.woody, resinous-piney For use in flavor, fragrance, and in essential oil imitations. Pell Wall Perfumes Pinene alpha Odor Description: Warm-woody, fresh-pine, resinous According to Arctander “alpa-Pinene is one of the lowest boiling of all Monoterpenes, and has therefore the most diffusive odor and poorest tenacity. It is also one of the purest commercially available Monoterpenes, the chief impurities being beta-Pinene and Camphene.” Cosmetic Information: CosIng: cosmetic data2 CosIng: cosmetic data Cosmetic Uses: perfuming agents Suppliers: Advanced Biotech ALPHA PINENE NATURAL sds 98% min. Odor: Pine Alfa Biotechnology For experimental / research use only. alpha-Pinene 98% Ambles Nature et Chimie ALPHA PINENE NAT Aromatic and Allied Chemicals a-Pinene Arora Aromatics Alpha Pinene Augustus Oils Pinene Alpha Services Berjé alpha-Pinene P & F Media Berjé Pinene Alpha PF Natural BOC Sciences For experimental / research use only. alpha-Pinene ≥95% Odor: characteristic Use: �-Pinene is a bicyclic monoterpene found in oil of pine trees and other plants. It acts as an antibiotic against the growth of Citrus and Allied Essences alpha-Pinene (refined) (natural) Odor: warm-resinous pine-like odor or turpentine Market Report Creatingperfume.com alpha-Pinene Natural De Monchy Aromatics alpha-Pinene, Natural sds Odor: sweet, fresh, camphor, woody, pine, earthy Diffusions Aromatiques alpha-PINENE NATUREL Diffusions Aromatiques alpha-PINENE DRT Terpenes alpha-PINENE PF ≥ 98% ECSA Chemicals ALPHA - PINENE (CAS:80-56-8) ECSA TRADE THE MOST UPDATED FINANCIAL PUBLICATION ON THE WORLD OF CHEMISTRY ECSA Chemicals ALPHA - PINENE FG (CAS:80-56-8) Ernesto Ventós PINENE ALPHA 95% Ernesto Ventós PINENE ALPHA NATURAL Odor: PINE, CAMPHORACEOUS, EARTHY Excellentia International alpha-Pinene Natural ExtraSynthese For experimental / research use only. (+/-)-alpha-Pinene (GC) ≥98% Fleurchem alpha-pinene Florida Chemical a-Pinene Foreverest Resources alpha-Pinene 95% Odor: characteristic Use: Alpha-Pinene is a monoterpene, is obtained by the fractionation of gum turpentine oil which is tapped from living pine tree it is largely used as starting material for the synthesis of terpineol, camphor, borneol and terpene resin, synthetic perfumes and resins, medicines and other synthetic organic chemicals. Alpha pinene is used in flavors and fragrances, alpha pinene can be used as raw material in optical active pharmaceutical intermediate and aroma chemicals industries. Fuzhou Farwell Alpha Pinene 95% Global Essence alpha-Pinene Natural Indukern F&F ALPHA PINENE LAEVO NATURAL K.L. Koh Enterprise PINENE ALPHA Kraton SYLVAPINE ® 402 Odor: characteristic Use: SYLVAPINE ® 402 is an alpha-pinene used as an intermediate for making camphor, perfumes, terpineol, resins and insecticides. SYLVAPINE ® 402 can also be used as a cleaner, solvent and a disinfectant. Kraton SYLVAPINE ® 402SF Lluch Essence ALPHA-PINENE NAT. LAEVO EX-TURPERTINE OIL 97% M&U International alpha-PINENE M&U International Nat. Alpha-Pinene Mentha & Allied Products alpha-Pinene 80% to 95% Nectar Lifesciences Alpha Pinene Nippon Terpene Chemicals alpha-Pinene 95% up Pell Wall Perfumes Pinene alpha Odor: Warm-woody, fresh-pine, resinous Use: According to Arctander “alpa-Pinene is one of the lowest boiling of all Monoterpenes, and has therefore the most diffusive odor and poorest tenacity. It is also one of the purest commercially available Monoterpenes, the chief impurities being beta-Pinene and Camphene.” Penta International alpha-PINENE NATURAL Penta International alpha-PINENE Prodasynth ALPHA PINENE, NATURAL (> 95%) Odor: PINE, CAMPHORACEOUS, EARTHY R C Treatt & Co Ltd alpha-Pinene Reincke & Fichtner alpha-Pinene Reincke & Fichtner L-alpha-Pinene natural Robertet Pinene alpha naturel Seasons and Harvest / Crop calendar Santa Cruz Biotechnology For experimental / research use only. a-Pinene Shiva Chemicals and Pharmaceuticals Alpha Pinene 95 % Sigma-Aldrich: Aldrich For experimental / research use only. a-Pinene 98% sds Som Extracts ALPHA PINENE EX MINT SRS Aromatics ALPHA PINENE Odor: Sweet, Woody, Pine, Earthy Synerzine �-PINENE EX EUTS Synerzine �-PINENE EX MINT Takasago Pinene Alpha Biobased 100% Odor: Dry.woody, resinous-piney Use: For use in flavor, fragrance, and in essential oil imitations. The Fragrance Museum The John D. Walsh Company alpha-Pinene 99% Natural The Lermond Company ALPHA PINENE, 99% Vigon International Pinene Alpha PF Vigon International Pinene Alpha Vistachem alpha-Pinene Safety Information: Preferred SDS: View European information : Most important hazard(s): Xn N - Harmful, Dangerous for the environment. R 10 - Flammable. R 22 - Harmful if swallowed. R 36/38 - Irritating to skin and eyes. R 50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 20/21 - When using do not eat, drink or smoke. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection. S 60 - This material and its container must be disposed of as hazardous waste. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet. S 62 - If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label. Hazards identification Classification of the substance or mixture GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) Flammable liquids (Category 3), H226 Aspiration hazard (Category 1), H304 Skin irritation (Category 2), H315 Skin sensitisation (Category 1), H317 Acute aquatic toxicity (Category 3), H402 GHS Label elements, including precautionary statements Pictogram Signal word Warning Hazard statement(s) H226 - Flammable liquid and vapour H304 - May be fatal if swallowed and enters airways H315 - Causes skin irritation H317 - May cause an allergic skin reaction H402 - Harmful to aquatic life Precautionary statement(s) P210 - Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233 - Keep container tightly closed. P240 - Ground/bond container and receiving equipment. P241 - Use explosion-proof electrical/ventilating/lighting/…/equipment. P242 - Use only non-sparking tools. P243 - Take precautionary measures against static discharge. P261 - Avoid breathing dust/fume/gas/mist/vapours/spray. P264 - Wash skin thouroughly after handling. P272 - Contaminated work clothing should not be allowed out of the workplace. P273 - Avoid release to the environment. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P301 + P310 - IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P303 + P361 + P353 - IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P331 - Do NOT induce vomiting. P333 + P313 - IF SKIN irritation or rash occurs: Get medical advice/attention. P362 - Take off contaminated clothing and wash before reuse. P370 + P378 - In case of fire: Use dry sand, dry chemical or alcohol-resistant foam for extinction. P403 + P235 - Store in a well-ventilated place. Keep cool. P405 - Store locked up. P501 - Dispose of contents/ container to an approved waste disposal plant. Human Experience: 1 % solution: no irritation or sensitization. Oral/Parenteral Toxicity: oral-rat LD50"}
{"cas": "5392-40-5", "name": "Citral", "smiles": "CC(=CCCC(=CC=O)C)C", "molecular_weight": 152.23, "boiling_point_k": 501.65, "vapor_pressure_pa": 26.664479999999998, "odor_threshold_ug_m3": null, "logp": 2.878000000000001, "unifac_groups": "{\"1\": 3, \"2\": 2, \"20\": 1, \"8\": 2}", "odor_description": "sharp lemon sweet Luebke, William"}
{"cas": "469-01-2", "name": "Cedrene", "smiles": "CC1=CCC2C(C1)CC1C(C)CCC1C2C", "molecular_weight": 218.38399999999996, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 4.661000000000004, "unifac_groups": "{\"1\": 3, \"78\": 5, \"79\": 6, \"8\": 1}", "odor_description": null}
{"cas": "65405-77-8", "name": "cis-3-Hexenyl salicylate", "smiles": "CC/C=C/CC(=O)Oc1ccccc1O", "molecular_weight": 206.24099999999996, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 2.6539, "unifac_groups": "{\"1\": 1, \"10\": 1, \"17\": 1, \"2\": 1, \"22\": 1, \"6\": 1, \"9\": 4}", "odor_description": null}
{"cas": "23696-85-7", "name": "Beta-damascenone 1%", "smiles": "CC(=O)/C=C/C1C(C)=CCCC1(C)C", "molecular_weight": 192.30199999999994, "boiling_point_k": null, "vapor_pressure_pa": null, "odor_threshold_ug_m3": null, "logp": 3.5141000000000027, "unifac_groups": "{\"1\": 3, \"18\": 1, \"6\": 1, \"78\": 2, \"79\": 1, \"8\": 1, \"80\": 1}", "odor_description": null}
{"cas": "121-33-5", "name": "vanillin", "smiles": "COC1=C(C=CC(=C1)C=O)O", "molecular_weight": 152.15, "boiling_point_k": 558.65, "vapor_pressure_pa": 0.26664479999999996, "odor_threshold_ug_m3": null, "logp": 1.2133, "unifac_groups": "{\"10\": 2, \"17\": 1, \"20\": 1, \"24\": 1, \"9\": 3}", "odor_description": "at 10.00 % in dipropylene glycol. sweet vanilla creamy chocolate Luebke, William"}