primary_name string | cas_number string | cid int64 | iupac_name string | canonical_smiles string | inchi string | inchi_key string | molecular_formula string | molecular_weight float64 | exact_mass float64 | xlogp float64 | tpsa float64 | complexity int64 | charge int64 | h_bond_donor_count int64 | h_bond_acceptor_count int64 | rotatable_bond_count int64 | heavy_atom_count int64 | flash_point string | boiling_point string | acute_aquatic_toxicity int64 | acute_toxicity_dermal int64 | acute_toxicity_inhalation int64 | acute_toxicity_oral int64 | aspiration_hazard int64 | carcinogenicity int64 | chronic_aquatic_toxicity int64 | eye_damage_irritation int64 | flammable_liquids int64 | flammable_solids int64 | germ_cell_mutagenicity int64 | metal_corrosion int64 | organic_peroxides int64 | reproductive_toxicity int64 | respiratory_sensitization int64 | self_reactive_substances int64 | skin_corrosion_irritation int64 | skin_sensitization int64 | stot_repeated_exposure int64 | stot_single_exposure int64 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ETHYL 2-CYANOACRYLATE | 007085-85-0 | 81,530 | ethyl 2-cyanoprop-2-enoate | CCOC(=O)C(=C)C#N | InChI=1S/C6H7NO2/c1-3-9-6(8)5(2)4-7/h2-3H2,1H3 | FGBJXOREULPLGL-UHFFFAOYSA-N | C6H7NO2 | 125.13 | 125.047679 | 1 | 50.1 | 175 | 0 | 0 | 3 | 3 | 9 | 82.78 °C (closed cup) | 55 °C at 3 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
3,7-DIMETHYL-3-OCTANOL | 000078-69-3 | 6,548 | 3,7-dimethyloctan-3-ol | CCC(C)(CCCC(C)C)O | InChI=1S/C10H22O/c1-5-10(4,11)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3 | DLHQZZUEERVIGQ-UHFFFAOYSA-N | C10H22O | 158.28 | 158.167065 | 3.3 | 20.2 | 99 | 0 | 1 | 1 | 5 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
DODECAMETHYLPENTASILOXANE | 000141-63-9 | 8,853 | bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-dimethylsilane | C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C | InChI=1S/C12H36O4Si5/c1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h1-12H3 | FBZANXDWQAVSTQ-UHFFFAOYSA-N | C12H36O4Si5 | 384.84 | 384.145992 | null | 36.9 | 313 | 0 | 0 | 4 | 8 | 21 | null | 230 °C | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-PROPENOIC ACID, 2-ETHYLHEXYL ESTER | 000103-11-7 | 7,636 | 2-ethylhexyl prop-2-enoate | CCCCC(CC)COC(=O)C=C | InChI=1S/C11H20O2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h6,10H,3-5,7-9H2,1-2H3 | GOXQRTZXKQZDDN-UHFFFAOYSA-N | C11H20O2 | 184.27 | 184.14633 | 3.8 | 26.3 | 152 | 0 | 0 | 2 | 8 | 13 | 180 °F (NTP, 1992) | 417 to 424 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
2-ETHYLHEXYL METHACRYLATE | 000688-84-6 | 12,713 | 2-ethylhexyl 2-methylprop-2-enoate | CCCCC(CC)COC(=O)C(=C)C | InChI=1S/C12H22O2/c1-5-7-8-11(6-2)9-14-12(13)10(3)4/h11H,3,5-9H2,1-2,4H3 | WDQMWEYDKDCEHT-UHFFFAOYSA-N | C12H22O2 | 198.3 | 198.16198 | 4.5 | 26.3 | 185 | 0 | 0 | 2 | 8 | 14 | 92 °C | 110 °C @ 14 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
3,7-DIMETHYL-1,6-OCTADIEN-3-OL ACETATE | 000115-95-7 | 8,294 | 3,7-dimethylocta-1,6-dien-3-yl acetate | CC(=CCCC(C)(C=C)OC(=O)C)C | InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3 | UWKAYLJWKGQEPM-UHFFFAOYSA-N | C12H20O2 | 196.29 | 196.14633 | 3.3 | 26.3 | 237 | 0 | 0 | 2 | 6 | 14 | 94 °C (201 °F) - closed cup | 221 °C | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
2-Propenoic acid, isooctyl ester | 029590-42-9 | 165,746 | 6-methylheptyl prop-2-enoate | CC(C)CCCCCOC(=O)C=C | InChI=1S/C11H20O2/c1-4-11(12)13-9-7-5-6-8-10(2)3/h4,10H,1,5-9H2,2-3H3 | DXPPIEDUBFUSEZ-UHFFFAOYSA-N | C11H20O2 | 184.27 | 184.14633 | 4.2 | 26.3 | 150 | 0 | 0 | 2 | 8 | 13 | 91 °C | 196.8 °C | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
SULFUR (POWDER, CRYSTALS, FLAKES, PIECES) | 007704-34-9 | 5,362,487 | sulfane | S | InChI=1S/S | NINIDFKCEFEMDL-UHFFFAOYSA-N | S | 32.07 | 31.972071 | 0.5 | 1 | 0 | 0 | 0 | 1 | 0 | 1 | 405 °F (207 °C) (Closed cup) | 444.61 °C | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1-METHYL-3-NITRO-1-NITROSOGUANIDINE | 000070-25-7 | 135,436,526 | 1-methyl-3-nitro-1-nitrosoguanidine | CN(C(=N)N[N+](=O)[O-])N=O | InChI=1S/C2H5N5O3/c1-6(5-8)2(3)4-7(9)10/h1H3,(H2,3,4) | VZUNGTLZRAYYDE-UHFFFAOYSA-N | C2H5N5O3 | 147.09 | 147.039239 | 0.1 | 114 | 161 | 0 | 2 | 5 | 2 | 10 | null | BP: 89-97 °C at 225 °C | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TETRAMETHYLAMMONIUM IODIDE | 000075-58-1 | 6,381 | tetramethylazanium iodide | C[N+](C)(C)C.[I-] | InChI=1S/C4H12N.HI/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1 | RXMRGBVLCSYIBO-UHFFFAOYSA-M | C4H12IN | 201.05 | 201.00145 | null | 0 | 19 | 0 | 0 | 1 | 0 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
SODIUM MOLYBDATE | 007631-95-0 | 61,424 | disodium;dioxido(dioxo)molybdenum | [O-][Mo](=O)(=O)[O-].[Na+].[Na+] | InChI=1S/Mo.2Na.4O/q;2*+1;;;2*-1 | TVXXNOYZHKPKGW-UHFFFAOYSA-N | MoNa2O4 | 205.93 | 207.864601 | null | 80.3 | 62 | 0 | 0 | 4 | 0 | 7 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1,1,2,2,3,3,4,4,5,5,6,6,6-TRIDECAFLUORO-1-HEXANESULFONIC ACID POTASSIUM SALT | 003871-99-6 | 23,678,874 | potassium 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate | C(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F.[K+] | InChI=1S/C6HF13O3S.K/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22;/h(H,20,21,22);/q;+1/p-1 | RSCGQEBKFSGWJT-UHFFFAOYSA-M | C6F13KO3S | 438.21 | 437.899763 | null | 65.6 | 559 | 0 | 0 | 16 | 5 | 24 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
NONANOIC ACID, 2-PROPENYL ESTER | 007493-72-3 | 61,410 | prop-2-enyl nonanoate | CCCCCCCCC(=O)OCC=C | InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-12(13)14-11-4-2/h4H,2-3,5-11H2,1H3 | MFLWLDDOGSNSKO-UHFFFAOYSA-N | C12H22O2 | 198.3 | 198.16198 | 4.3 | 26.3 | 152 | 0 | 0 | 2 | 10 | 14 | 84 °F (NTP, 1992) | 189 to 196 °F at 3 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
SILICON TETRACHLORIDE | 010026-04-7 | 24,816 | tetrachlorosilane | [Si](Cl)(Cl)(Cl)Cl | InChI=1S/Cl4Si/c1-5(2,3)4 | FDNAPBUWERUEDA-UHFFFAOYSA-N | Cl4Si | 169.9 | 169.849387 | null | 0 | 19 | 0 | 0 | 0 | 0 | 5 | null | 135.7 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
DIPOTASSIUM CHROMATE | 007789-00-6 | 24,597 | dipotassium;dioxido(dioxo)chromium | [O-][Cr](=O)(=O)[O-].[K+].[K+] | InChI=1S/Cr.2K.4O/q;2*+1;;;2*-1 | XMXNVYPJWBTAHN-UHFFFAOYSA-N | CrK2O4 | 194.19 | 193.847576 | null | 80.3 | 62 | 0 | 0 | 4 | 0 | 7 | null | 1000 °C | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
POTASSIUM METABISULFITE | 016731-55-8 | 28,019 | null | [O-]S(=O)S(=O)(=O)[O-].[K+].[K+] | InChI=1S/2K.H2O5S2/c;;1-6(2)7(3,4)5/h;;(H,1,2)(H,3,4,5)/q2*+1;/p-2 | RWPGFSMJFRPDDP-UHFFFAOYSA-L | K2O5S2 | 222.33 | 221.846128 | null | 125 | 136 | 0 | 0 | 6 | 0 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
HEXAMETHYLENE DIISOCYANATE | 000822-06-0 | 13,192 | 1,6-diisocyanatohexane | C(CCCN=C=O)CCN=C=O | InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2 | RRAMGCGOFNQTLD-UHFFFAOYSA-N | C8H12N2O2 | 168.19 | 168.089878 | 3.2 | 58.9 | 169 | 0 | 0 | 4 | 7 | 12 | 284 °F (NTP, 1992) | 491 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 1 |
DIBUTYL OXALATE | 002050-60-4 | 16,306 | dibutyl oxalate | CCCCOC(=O)C(=O)OCCCC | InChI=1S/C10H18O4/c1-3-5-7-13-9(11)10(12)14-8-6-4-2/h3-8H2,1-2H3 | JKRZOJADNVOXPM-UHFFFAOYSA-N | C10H18O4 | 202.25 | 202.120509 | 2.3 | 52.6 | 157 | 0 | 0 | 4 | 9 | 14 | null | 241.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
POLYETHYLENE GLYCOL LAURYL ETHER SULFATE, AMMONIUM SALT | 032612-48-9 | 61,913 | azane;2-dodecoxyethyl hydrogen sulfate | CCCCCCCCCCCCOCCOS(=O)(=O)O.N | InChI=1S/C14H30O5S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17;/h2-14H2,1H3,(H,15,16,17);1H3 | OPVLOHUACNWTQT-UHFFFAOYSA-N | C14H33NO5S | 327.48 | 327.207944 | null | 82.2 | 284 | 0 | 2 | 6 | 15 | 21 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
3,6,9,12,15-PENTAOXAHEPTACOSAN-1-OL | 003055-95-6 | 18,281 | 2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol | CCCCCCCCCCCCOCCOCCOCCOCCOCCO | InChI=1S/C22H46O6/c1-2-3-4-5-6-7-8-9-10-11-13-24-15-17-26-19-21-28-22-20-27-18-16-25-14-12-23/h23H,2-22H2,1H3 | LAPRIVJANDLWOK-UHFFFAOYSA-N | C22H46O6 | 406.6 | 406.329439 | 4.5 | 66.4 | 265 | 0 | 1 | 6 | 25 | 28 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-[2-(DODECYLOXY)ETHOXY]ETHANOL HYDROGEN SULFATE, SODIUM SALT | 003088-31-1 | 23,682,204 | sodium 2-(2-dodecoxyethoxy)ethyl sulfate | CCCCCCCCCCCCOCCOCCOS(=O)(=O)[O-].[Na+] | InChI=1S/C16H34O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-20-13-14-21-15-16-22-23(17,18)19;/h2-16H2,1H3,(H,17,18,19);/q;+1/p-1 | GUQPDKHHVFLXHS-UHFFFAOYSA-M | C16H33NaO6S | 376.5 | 376.189554 | null | 93.3 | 332 | 0 | 0 | 6 | 18 | 24 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
POTASSIUM SULFITE | 010117-38-1 | 24,958 | dipotassium;sulfite | [O-]S(=O)[O-].[K+].[K+] | InChI=1S/2K.H2O3S/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2 | BHZRJJOHZFYXTO-UHFFFAOYSA-L | K2O3S | 158.26 | 157.884228 | null | 82.4 | 18 | 0 | 0 | 4 | 0 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-METHYLGLUTARIC ACID | 018069-17-5 | 12,046 | 2-methylpentanedioic acid | CC(CCC(=O)O)C(=O)O | InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10) | AQYCMVICBNBXNA-UHFFFAOYSA-N | C6H10O4 | 146.14 | 146.057909 | 0.1 | 74.6 | 141 | 0 | 2 | 4 | 4 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
L-CYSTEINE HYDROCHLORIDE MONOHYDRATE | 007048-04-6 | 23,462 | (2R)-2-amino-3-sulfanylpropanoic acid;hydrate;hydrochloride | C([C@@H](C(=O)O)N)S.O.Cl | InChI=1S/C3H7NO2S.ClH.H2O/c4-2(1-7)3(5)6;;/h2,7H,1,4H2,(H,5,6);1H;1H2/t2-;;/m0../s1 | QIJRTFXNRTXDIP-JIZZDEOASA-N | C3H10ClNO3S | 175.64 | 175.006992 | null | 65.3 | 75 | 0 | 5 | 5 | 2 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
5,5,5-TRIFLUORO-DL-LEUCINE | 002792-72-5 | 259,832 | 2-amino-5,5,5-trifluoro-4-methylpentanoic acid | CC(CC(C(=O)O)N)C(F)(F)F | InChI=1S/C6H10F3NO2/c1-3(6(7,8)9)2-4(10)5(11)12/h3-4H,2,10H2,1H3,(H,11,12) | XFGVJLGVINCWDP-UHFFFAOYSA-N | C6H10F3NO2 | 185.14 | 185.066363 | -0.9 | 63.3 | 169 | 0 | 2 | 6 | 3 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
MANGANESE(II) ACETATE TETRAHYDRATE | 006156-78-1 | 93,021 | manganese(2+);diacetate;tetrahydrate | CC(=O)[O-].CC(=O)[O-].O.O.O.O.[Mn+2] | InChI=1S/2C2H4O2.Mn.4H2O/c2*1-2(3)4;;;;;/h2*1H3,(H,3,4);;4*1H2/q;;+2;;;;/p-2 | CESXSDZNZGSWSP-UHFFFAOYSA-L | C4H14MnO8 | 245.09 | 245.00691 | null | 84.3 | 25 | 0 | 4 | 8 | 0 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
BRIJ 58 | 009004-95-9 | 2,724,259 | 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol | CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO | InChI=1S/C56H114O21/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-58-19-21-60-23-25-62-27-29-64-31-33-66-35-37-68-39-41-70-43-45-72-47-49-74-51-53-76-55-56-77-54-52-75-50-48-73-46-44-71-42-40-69-38-36-67-34-32-65-30-28-63-26-24-61-22-20-59-18-16-57/h57H,2-56H2,1H3 | NLMKTBGFQGKQEV-UHFFFAOYSA-N | C56H114O21 | 1,123.5 | 1,122.785261 | 4.5 | 205 | 999 | 0 | 1 | 21 | 74 | 77 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TETRABUTYLAMMONIUM CHLORIDE | 001112-67-0 | 70,681 | tetrabutylazanium chloride | CCCC[N+](CCCC)(CCCC)CCCC.[Cl-] | InChI=1S/C16H36N.ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1 | NHGXDBSUJJNIRV-UHFFFAOYSA-M | C16H36ClN | 277.9 | 277.253628 | null | 0 | 116 | 0 | 0 | 1 | 12 | 18 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TETRABUTYLAMMONIUM DIHYDROGEN PHOSPHATE | 005574-97-0 | 2,735,142 | dihydrogen phosphate;tetrabutylazanium | CCCC[N+](CCCC)(CCCC)CCCC.OP(=O)(O)[O-] | InChI=1S/C16H36N.H3O4P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;(H3,1,2,3,4)/q+1;/p-1 | ARRNBPCNZJXHRJ-UHFFFAOYSA-M | C16H38NO4P | 339.45 | 339.253846 | null | 80.6 | 166 | 0 | 2 | 4 | 12 | 22 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TETRADECANAMINE | 002016-42-4 | 16,217 | tetradecan-1-amine | CCCCCCCCCCCCCCN | InChI=1S/C14H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-15H2,1H3 | PLZVEHJLHYMBBY-UHFFFAOYSA-N | C14H31N | 213.4 | 213.24565 | 6.4 | 26 | 102 | 0 | 1 | 1 | 12 | 15 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
MANGANESE(II) ACETATE | 000638-38-0 | 12,525 | manganese(2+) diacetate | CC(=O)[O-].CC(=O)[O-].[Mn+2] | InChI=1S/2C2H4O2.Mn/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2 | UOGMEBQRZBEZQT-UHFFFAOYSA-L | C4H6MnO4 | 173.03 | 172.964652 | null | 80.3 | 25 | 0 | 0 | 4 | 0 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-((2-METHYL-1-OXOALLYL)OXY)ETHYL ACETOACETATE | 021282-97-3 | 88,855 | 2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate | CC(=C)C(=O)OCCOC(=O)CC(=O)C | InChI=1S/C10H14O5/c1-7(2)10(13)15-5-4-14-9(12)6-8(3)11/h1,4-6H2,2-3H3 | IBDVWXAVKPRHCU-UHFFFAOYSA-N | C10H14O5 | 214.21 | 214.084124 | 0.8 | 69.7 | 280 | 0 | 0 | 5 | 8 | 15 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
GLYCINE, N,N-DIMETHYL-, HYDRAZIDE, MONOHYDROCHLORIDE | 000539-64-0 | 68,318 | 2-(dimethylamino)acetohydrazide;hydrochloride | CN(C)CC(=O)NN.Cl | InChI=1S/C4H11N3O.ClH/c1-7(2)3-4(8)6-5;/h3,5H2,1-2H3,(H,6,8);1H | OBXBQDQBTXIDCA-UHFFFAOYSA-N | C4H12ClN3O | 153.61 | 153.06689 | null | 58.4 | 81 | 0 | 3 | 3 | 2 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
3,6,9,12-TETRAOXATETRACOSAN-1-OL | 005274-68-0 | 78,933 | 2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethanol | CCCCCCCCCCCCOCCOCCOCCOCCO | InChI=1S/C20H42O5/c1-2-3-4-5-6-7-8-9-10-11-13-22-15-17-24-19-20-25-18-16-23-14-12-21/h21H,2-20H2,1H3 | WPMWEFXCIYCJSA-UHFFFAOYSA-N | C20H42O5 | 362.5 | 362.303224 | 4.7 | 57.2 | 226 | 0 | 1 | 5 | 22 | 25 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
AMMONIUM BISULFITE | 010192-30-0 | 10,441,651 | azanium hydrogen sulfite | [NH4+].OS(=O)[O-] | InChI=1S/H3N.H2O3S/c;1-4(2)3/h1H3;(H2,1,2,3) | ZETCGWYACBNPIH-UHFFFAOYSA-N | H5NO3S | 99.11 | 98.999014 | null | 80.6 | 24 | 0 | 2 | 4 | 0 | 5 | null | Sublimates at 302.0 °F (USCG, 1999) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
BIS(TETRABUTYLAMMONIUM)SULPHATE | 002472-88-0 | 11,433,187 | bis(tetrabutylazanium);sulfate | CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.[O-]S(=O)(=O)[O-] | InChI=1S/2C16H36N.H2O4S/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h2*5-16H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2 | ZXUCBXRTRRIBSO-UHFFFAOYSA-L | C32H72N2O4S | 581 | 580.52128 | null | 88.6 | 178 | 0 | 0 | 4 | 24 | 39 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
GLYOXAL | 000107-22-2 | 7,860 | oxaldehyde | C(=O)C=O | InChI=1S/C2H2O2/c3-1-2-4/h1-2H | LEQAOMBKQFMDFZ-UHFFFAOYSA-N | C2H2O2 | 58.04 | 58.005479 | -0.4 | 34.1 | 25 | 0 | 0 | 2 | 1 | 4 | 428 °F (NTP, 1992) | 124 °F at 776 mmHg (NTP, 1992) | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
2-(DIETHYLAMINO)ETHYL METHACRYLATE | 000105-16-8 | 61,012 | 2-(diethylamino)ethyl 2-methylprop-2-enoate | CCN(CC)CCOC(=O)C(=C)C | InChI=1S/C10H19NO2/c1-5-11(6-2)7-8-13-10(12)9(3)4/h3,5-8H2,1-2,4H3 | SJIXRGNQPBQWMK-UHFFFAOYSA-N | C10H19NO2 | 185.26 | 185.141579 | 1.9 | 29.5 | 174 | 0 | 0 | 3 | 7 | 13 | null | BP: 80 °C at 10 mm Hg | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
2,2-DICHLOROPROPIONIC ACID | 000075-99-0 | 6,418 | 2,2-dichloropropanoic acid | CC(C(=O)O)(Cl)Cl | InChI=1S/C3H4Cl2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7) | NDUPDOJHUQKPAG-UHFFFAOYSA-N | C3H4Cl2O2 | 142.97 | 141.958835 | 1.3 | 37.3 | 88 | 0 | 1 | 2 | 1 | 7 | null | 374 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TRICHLOROETHYLENE | 000079-01-6 | 6,575 | 1,1,2-trichloroethene | C(=C(Cl)Cl)Cl | InChI=1S/C2HCl3/c3-1-2(4)5/h1H | XSTXAVWGXDQKEL-UHFFFAOYSA-N | C2HCl3 | 131.38 | 129.914383 | 2.6 | 0 | 42 | 0 | 0 | 0 | 0 | 5 | greater than 200 °F (NTP, 1992) | 189 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
DIBUTYL PHOSPHITE | 001809-19-4 | 6,327,349 | dibutoxy(oxo)phosphanium | CCCCO[P+](=O)OCCCC | InChI=1S/C8H18O3P/c1-3-5-7-10-12(9)11-8-6-4-2/h3-8H2,1-2H3/q+1 | OSPSWZSRKYCQPF-UHFFFAOYSA-N | C8H18O3P+ | 193.2 | 193.099356 | 2.5 | 35.5 | 105 | 1 | 0 | 3 | 8 | 12 | 120 °F (NFPA, 2010) | 95 °C at 1 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
OLEOYL SARCOSINE | 000110-25-8 | 6,912,870 | 2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid | CCCCCCCC/C=C\CCCCCCCC(=O)N(C)CC(=O)O | InChI=1S/C21H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25/h10-11H,3-9,12-19H2,1-2H3,(H,24,25)/b11-10- | DIOYAVUHUXAUPX-KHPPLWFESA-N | C21H39NO3 | 353.5 | 353.292994 | 6.8 | 57.6 | 366 | 0 | 1 | 3 | 17 | 25 | null | null | 1 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
CLOSTRIPAIN | 009028-00-6 | 168,010,009 | hexakis(2,7-dimethyloctan-4-ol);hexakis(2,7-dimethyloct-4-ene);molecular hydrogen;propane | [HH].[HH].[HH].[HH].[HH].[HH].CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CC(C)CCC(CC(C)C)O.CC(C)CCC(CC(C)C)O.CC(C)CCC(CC(C)C)O.CC(C)CCC(CC(C)C)O.CC(C)CCC(CC(C)C)O.CC(C)CCC(CC(C)C)O.CC(C)CC=CCC(C)C.CC(C)CC=CCC(C)C.CC(C)CC=CCC(C)C.CC(C)CC=CCC(C)C.CC(C)CC=CCC(C)C.CC(C)C... | InChI=1S/6C10H22O.6C10H20.24C3H8.6H2/c6*1-8(2)5-6-10(11)7-9(3)4;6*1-9(2)7-5-6-8-10(3)4;24*1-3-2;;;;;;/h6*8-11H,5-7H2,1-4H3;6*5-6,9-10H,7-8H2,1-4H3;24*3H2,1-2H3;6*1H | SRMJIROQHUCOER-UHFFFAOYSA-N | C192H456O6 | 2,862 | 2,861.544412 | null | 121 | 163 | 0 | 6 | 6 | 54 | 198 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 1 |
9-OCTADECENAMIDE, N-[3-(DIMETHYLAMINO)PROPYL]-12-HYDROXY-, [R-(Z)]- | 020457-75-4 | 6,436,523 | (Z,12R)-N-[3-(dimethylamino)propyl]-12-hydroxyoctadec-9-enamide | CCCCCC[C@H](C/C=C\CCCCCCCC(=O)NCCCN(C)C)O | InChI=1S/C23H46N2O2/c1-4-5-6-13-17-22(26)18-14-11-9-7-8-10-12-15-19-23(27)24-20-16-21-25(2)3/h11,14,22,26H,4-10,12-13,15-21H2,1-3H3,(H,24,27)/b14-11-/t22-/m1/s1 | DWIUBTKCNCCGOO-QOYCNBSOSA-N | C23H46N2O2 | 382.6 | 382.355929 | 5.9 | 52.6 | 356 | 0 | 2 | 3 | 19 | 27 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
HEXADECANAMIDE, N-[3-(DIMETHYLAMINO)PROPYL]- | 039669-97-1 | 38,313 | N-[3-(dimethylamino)propyl]hexadecanamide | CCCCCCCCCCCCCCCC(=O)NCCCN(C)C | InChI=1S/C21H44N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)22-19-17-20-23(2)3/h4-20H2,1-3H3,(H,22,24) | BDHJUCZXTYXGCZ-UHFFFAOYSA-N | C21H44N2O | 340.6 | 340.345364 | 7.3 | 32.3 | 267 | 0 | 1 | 2 | 18 | 24 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TETRADECANAMIDE, N-[3-(DIMETHYLAMINO)PROPYL]- | 045267-19-4 | 170,759 | N-[3-(dimethylamino)propyl]tetradecanamide | CCCCCCCCCCCCCC(=O)NCCCN(C)C | InChI=1S/C19H40N2O/c1-4-5-6-7-8-9-10-11-12-13-14-16-19(22)20-17-15-18-21(2)3/h4-18H2,1-3H3,(H,20,22) | IFYDWYVPVAMGRO-UHFFFAOYSA-N | C19H40N2O | 312.5 | 312.314064 | 6.2 | 32.3 | 242 | 0 | 1 | 2 | 16 | 22 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
NONANOIC ACID | 000112-05-0 | 8,158 | nonanoic acid | CCCCCCCCC(=O)O | InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11) | FBUKVWPVBMHYJY-UHFFFAOYSA-N | C9H18O2 | 158.24 | 158.13068 | 3.5 | 37.3 | 99 | 0 | 1 | 2 | 7 | 11 | 133 °C (open cup) | 254.5 °C | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SODIUM PHOSPHATE, TRIBASIC | 007601-54-9 | 24,243 | trisodium;phosphate | [O-]P(=O)([O-])[O-].[Na+].[Na+].[Na+] | InChI=1S/3Na.H3O4P/c;;;1-5(2,3)4/h;;;(H3,1,2,3,4)/q3*+1;/p-3 | RYFMWSXOAZQYPI-UHFFFAOYSA-K | Na3O4P | 163.941 | 163.922728 | null | 86.3 | 36 | 0 | 0 | 4 | 0 | 8 | null | The hydrate loses 11 moles of water at 212 °F. (USCG, 1999) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
(E)-4-(TERT-BUTOXY)-4-OXOBUT-2-ENOIC ACID | 135355-96-3 | 5,797,551 | (E)-4-[(2-methylpropan-2-yl)oxy]-4-oxobut-2-enoic acid | CC(C)(C)OC(=O)/C=C/C(=O)O | InChI=1S/C8H12O4/c1-8(2,3)12-7(11)5-4-6(9)10/h4-5H,1-3H3,(H,9,10)/b5-4+ | BAXKSCVINAKVNE-SNAWJCMRSA-N | C8H12O4 | 172.18 | 172.073559 | 0.9 | 63.6 | 210 | 0 | 1 | 4 | 4 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
SILANE, TRIETHOXY(2-METHYLPROPYL)- | 017980-47-1 | 87,391 | triethoxy(2-methylpropyl)silane | CCO[Si](CC(C)C)(OCC)OCC | InChI=1S/C10H24O3Si/c1-6-11-14(12-7-2,13-8-3)9-10(4)5/h10H,6-9H2,1-5H3 | ALVYUZIFSCKIFP-UHFFFAOYSA-N | C10H24O3Si | 220.38 | 220.149471 | null | 27.7 | 122 | 0 | 0 | 3 | 8 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ETHANAMINE, N,N-DIETHYL-, SULFATE | 054272-29-6 | 171,330 | N,N-diethylethanamine;sulfuric acid | CCN(CC)CC.OS(=O)(=O)O | InChI=1S/C6H15N.H2O4S/c1-4-7(5-2)6-3;1-5(2,3)4/h4-6H2,1-3H3;(H2,1,2,3,4) | JNONJXMVMJSMTC-UHFFFAOYSA-N | C6H17NO4S | 199.27 | 199.087829 | null | 86.2 | 107 | 0 | 2 | 5 | 3 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
DECENOIC ACID | 072881-27-7 | 5,282,724 | (E)-dec-2-enoic acid | CCCCCCC/C=C/C(=O)O | InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)/b9-8+ | WXBXVVIUZANZAU-CMDGGOBGSA-N | C10H18O2 | 170.25 | 170.13068 | 3.8 | 37.3 | 139 | 0 | 1 | 2 | 7 | 12 | null | 161.00 to 162.00 °C. @ 15.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
DIBUTYL MALEATE | 000105-76-0 | 5,271,569 | dibutyl (Z)-but-2-enedioate | CCCCOC(=O)/C=C\C(=O)OCCCC | InChI=1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7- | JBSLOWBPDRZSMB-FPLPWBNLSA-N | C12H20O4 | 228.28 | 228.136159 | 2.7 | 52.6 | 209 | 0 | 0 | 4 | 10 | 16 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 |
2-HYDROXYETHYL METHACRYLATE | 000868-77-9 | 13,360 | 2-hydroxyethyl 2-methylprop-2-enoate | CC(=C)C(=O)OCCO | InChI=1S/C6H10O3/c1-5(2)6(8)9-4-3-7/h7H,1,3-4H2,2H3 | WOBHKFSMXKNTIM-UHFFFAOYSA-N | C6H10O3 | 130.14 | 130.062994 | 0.5 | 46.5 | 117 | 0 | 1 | 3 | 4 | 9 | 97 °C (closed cup) | 67 °C @ 3.5 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
FARNESOL | 004602-84-0 | 445,070 | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol | CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C | InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+ | CRDAMVZIKSXKFV-YFVJMOTDSA-N | C15H26O | 222.37 | 222.198365 | 4.8 | 20.2 | 265 | 0 | 1 | 1 | 7 | 16 | null | 230 to 235 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
TRIPROPYLENEGLYCOL DIACRYLATE | 042978-66-5 | 4,128,060 | 2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate | CC(COC(C)COC(=O)C=C)OCC(C)OC(=O)C=C | InChI=1S/C15H24O6/c1-6-14(16)20-9-12(4)18-8-11(3)19-10-13(5)21-15(17)7-2/h6-7,11-13H,1-2,8-10H2,3-5H3 | LJRSZGKUUZPHEB-UHFFFAOYSA-N | C15H24O6 | 300.35 | 300.157289 | 2.2 | 71.1 | 352 | 0 | 0 | 6 | 13 | 21 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
ZINC DI-N-BUTYLDITHIOCARBAMATE | 000136-23-2 | 5,284,483 | zinc bis(N,N-dibutylcarbamodithioate) | CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Zn+2] | InChI=1S/2C9H19NS2.Zn/c2*1-3-5-7-10(9(11)12)8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);/q;;+2/p-2 | BOXSVZNGTQTENJ-UHFFFAOYSA-L | C18H36N2S4Zn | 474.1 | 472.105276 | null | 72.7 | 112 | 0 | 0 | 4 | 12 | 25 | null | Decomposes at 296 °C | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
METHYL 2-CYANOACRYLATE | 000137-05-3 | 8,711 | methyl 2-cyanoprop-2-enoate | COC(=O)C(=C)C#N | InChI=1S/C5H5NO2/c1-4(3-6)5(7)8-2/h1H2,2H3 | MWCLLHOVUTZFKS-UHFFFAOYSA-N | C5H5NO2 | 111.1 | 111.032028 | 0.6 | 50.1 | 163 | 0 | 0 | 3 | 2 | 8 | 174 °F (NIOSH, 2024) | 117 to 120 °F at 1.8 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TIN 2-ETHYLHEXANOATE | 000301-10-0 | 9,318 | bis(2-ethylhexanoate);tin(2+) | CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Sn+2] | InChI=1S/2C8H16O2.Sn/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2 | KSBAEPSJVUENNK-UHFFFAOYSA-L | C16H30O4Sn | 405.1 | 406.116612 | null | 80.3 | 93 | 0 | 0 | 4 | 8 | 21 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 |
CESIUM CARBONATE | 000534-17-8 | 10,796 | dicesium;carbonate | C(=O)([O-])[O-].[Cs+].[Cs+] | InChI=1S/CH2O3.2Cs/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2 | FJDQFPXHSGXQBY-UHFFFAOYSA-L | CCs2O3 | 325.82 | 325.795648 | null | 63.2 | 18 | 0 | 0 | 3 | 0 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 1 | 1 |
ITACONIC ACID | 000097-65-4 | 811 | 2-methylidenebutanedioic acid | C=C(CC(=O)O)C(=O)O | InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9) | LVHBHZANLOWSRM-UHFFFAOYSA-N | C5H6O4 | 130.1 | 130.026609 | -0.1 | 74.6 | 158 | 0 | 2 | 4 | 3 | 9 | null | 268 °C, SUBLIMES | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
NEOPENTYL GLYCOL | 000126-30-7 | 31,344 | 2,2-dimethylpropane-1,3-diol | CC(C)(CO)CO | InChI=1S/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H3 | SLCVBVWXLSEKPL-UHFFFAOYSA-N | C5H12O2 | 104.15 | 104.08373 | 0 | 40.5 | 44 | 0 | 2 | 2 | 2 | 7 | 225 °F (USCG, 1999) | 406.4 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PHOSPHORIC ACID, MONOBUTYL ESTER, MONOPOTASSIUM SALT | 025238-99-7 | 23,672,342 | potassium butyl hydrogen phosphate | CCCCOP(=O)(O)[O-].[K+] | InChI=1S/C4H11O4P.K/c1-2-3-4-8-9(5,6)7;/h2-4H2,1H3,(H2,5,6,7);/q;+1/p-1 | XAACWXXRFIOVSG-UHFFFAOYSA-M | C4H10KO4P | 192.19 | 191.995377 | null | 69.6 | 118 | 0 | 1 | 4 | 4 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
POTASSIUM BROMIDE | 007758-02-3 | 253,877 | potassium bromide | [K+].[Br-] | InChI=1S/BrH.K/h1H;/q;+1/p-1 | IOLCXVTUBQKXJR-UHFFFAOYSA-M | BrK | 119 | 117.88204 | null | 0 | 2 | 0 | 0 | 1 | 0 | 2 | null | 2615 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
CITRIC ACID MONOHYDRATE | 005949-29-1 | 22,230 | 2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate | C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O | InChI=1S/C6H8O7.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2 | YASYEJJMZJALEJ-UHFFFAOYSA-N | C6H10O8 | 210.14 | 210.037567 | null | 133 | 227 | 0 | 5 | 8 | 5 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TIN(II) PYROPHOSPHATE | 015578-26-4 | 66,379 | phosphonato phosphate;bis(tin(2+)) | [O-]P(=O)([O-])OP(=O)([O-])[O-].[Sn+2].[Sn+2] | InChI=1S/H4O7P2.2Sn/c1-8(2,3)7-9(4,5)6;;/h(H2,1,2,3)(H2,4,5,6);;/q;2*+2/p-4 | GEZAUFNYMZVOFV-UHFFFAOYSA-J | O7P2Sn2 | 411.36 | 411.71574 | null | 136 | 124 | 0 | 0 | 7 | 0 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
POLYETHYLENE GLYCOL MONOSTEARATE | 009004-99-3 | 24,762 | 2-hydroxyethyl octadecanoate | CCCCCCCCCCCCCCCCCC(=O)OCCO | InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h21H,2-19H2,1H3 | RFVNOJDQRGSOEL-UHFFFAOYSA-N | C20H40O3 | 328.5 | 328.297745 | 7.8 | 46.5 | 241 | 0 | 1 | 3 | 19 | 23 | MYRJ 45: 500 °F OC | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
POTASSIUM TETRAFLUOROBORATE | 014075-53-7 | 518,872 | potassium tetrafluoroborate | [B-](F)(F)(F)F.[K+] | InChI=1S/BF4.K/c2-1(3,4)5;/q-1;+1 | AKEBROIVCDHVSD-UHFFFAOYSA-N | BF4K | 125.91 | 125.966624 | null | 0 | 23 | 0 | 0 | 5 | 0 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PROPANOIC ACID, 2-HYDROXY-, MONOAMMONIUM SALT | 000515-98-0 | 62,358 | azanium 2-hydroxypropanoate | CC(C(=O)[O-])O.[NH4+] | InChI=1S/C3H6O3.H3N/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);1H3 | RZOBLYBZQXQGFY-UHFFFAOYSA-N | C3H9NO3 | 107.11 | 107.058243 | null | 61.4 | 53 | 0 | 2 | 3 | 0 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
SULFURIC ACID, INDIUM(3+) SALT (3:2) | 013464-82-9 | 26,044 | bis(indium(3+));trisulfate | [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[In+3].[In+3] | InChI=1S/2In.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6 | XGCKLPDYTQRDTR-UHFFFAOYSA-H | In2O12S3 | 517.8 | 517.662947 | null | 266 | 62 | 0 | 0 | 12 | 0 | 17 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
(OC-6-11)-HEXAFLUOROALUMINATE(3-) TRIPOTASSIUM | 013775-52-5 | 160,989 | aluminum;tripotassium;hexafluoride | [F-].[F-].[F-].[F-].[F-].[F-].[Al+3].[K+].[K+].[K+] | InChI=1S/Al.6FH.3K/h;6*1H;;;/q+3;;;;;;;3*+1/p-6 | ZIZQEDPMQXFXTE-UHFFFAOYSA-H | AlF6K3 | 258.267 | 257.863077 | null | 0 | 0 | 0 | 0 | 6 | 0 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ISODECANOL | 025339-17-7 | 32,898 | 8-methylnonan-1-ol | CC(C)CCCCCCCO | InChI=1S/C10H22O/c1-10(2)8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3 | PLLBRTOLHQQAQQ-UHFFFAOYSA-N | C10H22O | 158.28 | 158.167065 | 3.8 | 20.2 | 69 | 0 | 1 | 1 | 7 | 11 | 220 °F (USCG, 1999) | 428 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
6-OCTEN-1-YN-3-OL, 3,7-DIMETHYL- | 029171-20-8 | 62,842 | 3,7-dimethyloct-6-en-1-yn-3-ol | CC(=CCCC(C)(C#C)O)C | InChI=1S/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h1,7,11H,6,8H2,2-4H3 | YWTIDNZYLFTNQQ-UHFFFAOYSA-N | C10H16O | 152.23 | 152.120115 | 2.2 | 20.2 | 190 | 0 | 1 | 1 | 4 | 11 | 85 °C | 198.00 to 199.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
OLEAMIDE | 000301-02-0 | 5,283,387 | (Z)-octadec-9-enamide | CCCCCCCC/C=C\CCCCCCCC(=O)N | InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9- | FATBGEAMYMYZAF-KTKRTIGZSA-N | C18H35NO | 281.5 | 281.271865 | 6.6 | 43.1 | 236 | 0 | 1 | 1 | 15 | 20 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-HEXADECEN-3-OL, 3,7,11,15-TETRAMETHYL- | 000505-32-8 | 10,453 | 3,7,11,15-tetramethylhexadec-1-en-3-ol | CC(C)CCCC(C)CCCC(C)CCCC(C)(C=C)O | InChI=1S/C20H40O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3 | KEVYVLWNCKMXJX-UHFFFAOYSA-N | C20H40O | 296.5 | 296.307916 | 7.8 | 20.2 | 259 | 0 | 1 | 1 | 13 | 21 | null | 107-110 °C at 0.01 mm Hg; 125-128 °C at 0.06 mm Hg | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
INDIUM OXIDE | 001312-43-2 | 150,905 | bis(indium(3+));tris(oxygen(2-)) | [O-2].[O-2].[O-2].[In+3].[In+3] | InChI=1S/2In.3O/q2*+3;3*-2 | PJXISJQVUVHSOJ-UHFFFAOYSA-N | In2O3 | 277.63 | 277.792501 | null | 3 | 0 | 0 | 0 | 3 | 0 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 |
VANADIUM TRIOXIDE | 001314-34-7 | 518,710 | oxo(oxovanadiooxy)vanadium | O=[V]O[V]=O | InChI=1S/3O.2V | KFAFTZQGYMGWLU-UHFFFAOYSA-N | O3V2 | 149.881 | 149.872659 | null | 43.4 | 34 | 0 | 0 | 3 | 0 | 5 | null | Approximately 3000 °C | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
HEXACHLOROETHANE | 000067-72-1 | 6,214 | 1,1,1,2,2,2-hexachloroethane | C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl | InChI=1S/C2Cl6/c3-1(4,5)2(6,7)8 | VHHHONWQHHHLTI-UHFFFAOYSA-N | C2Cl6 | 236.7 | 235.810166 | 4.1 | 0 | 61 | 0 | 0 | 0 | 0 | 8 | null | 368.2 °F at 760 mmHg (Sublimes) (NTP, 1992) | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TETRAKIS(2-METHOXYETHOXY)SILANE | 002157-45-1 | 75,087 | tetrakis(2-methoxyethyl) silicate | COCCO[Si](OCCOC)(OCCOC)OCCOC | InChI=1S/C12H28O8Si/c1-13-5-9-17-21(18-10-6-14-2,19-11-7-15-3)20-12-8-16-4/h5-12H2,1-4H3 | JSECNWXDEZOMPD-UHFFFAOYSA-N | C12H28O8Si | 328.43 | 328.155344 | null | 73.8 | 174 | 0 | 0 | 8 | 16 | 21 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 |
BORIC ACID, POTASSIUM SALT | 012712-38-8 | 12,816,516 | tripotassium;borate | B([O-])([O-])[O-].[K+].[K+].[K+] | InChI=1S/BO3.3K/c2-1(3)4;;;/q-3;3*+1 | WUUHFRRPHJEEKV-UHFFFAOYSA-N | BK3O3 | 176.11 | 175.885169 | null | 69.2 | 8 | 0 | 0 | 3 | 0 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 1 |
BORIC ACID (HBO2), CALCIUM SALT | 013701-64-9 | 10,290,800 | calcium oxido(oxo)borane | B(=O)[O-].B(=O)[O-].[Ca+2] | InChI=1S/2BO2.Ca/c2*2-1-3;/q2*-1;+2 | ILOKQJWLMPPMQU-UHFFFAOYSA-N | B2CaO4 | 125.7 | 125.96086 | null | 80.3 | 7 | 0 | 0 | 4 | 0 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
BORIC ACID (HBO2), SODIUM SALT | 007775-19-1 | 145,326 | sodium oxido(oxo)borane | B(=O)[O-].[Na+] | InChI=1S/BO2.Na/c2-1-3;/q-1;+1 | NVIFVTYDZMXWGX-UHFFFAOYSA-N | BNaO2 | 65.8 | 65.988904 | null | 40.1 | 13 | 0 | 0 | 2 | 0 | 4 | null | 1434 °C | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 |
YTTRIUM 2-ETHYLHEXANOATE | 103470-68-4 | 15,607,674 | tris(2-ethylhexanoate);yttrium(3+) | CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Y+3] | InChI=1S/3C8H16O2.Y/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3 | AGOMHFKGCMKLDA-UHFFFAOYSA-K | C24H45O6Y | 518.5 | 518.227452 | null | 120 | 93 | 0 | 0 | 6 | 12 | 31 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 1 |
AMMONIUM PENTABORATE TETRAHYDRATE | 012229-12-8 | 16,204,493 | azanium pentaborate | B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].[NH4+] | InChI=1S/5BO3.H3N/c5*2-1(3)4;/h;;;;;1H3/q5*-3;/p+1 | KYFDJSOTPVQVTQ-UHFFFAOYSA-O | B5H4NO15-14 | 312.1 | 312.008251 | null | 347 | 8 | -14 | 1 | 15 | 0 | 21 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
5,7,12-TRIOXA-6-STANNAOCTADECA-2,9-DIENOIC ACID, 14-ETHYL-6,6-DIOCTYL-4,8,11-T | 010039-33-5 | 16,684,161 | 4-O-[[(E)-4-(2-ethylhexoxy)-4-oxobut-2-enoyl]oxy-dioctylstannyl] 1-O-(2-ethylhexyl) (E)-but-2-enedioate | CCCCCCCC[Sn](OC(=O)/C=C/C(=O)OCC(CCCC)CC)(OC(=O)/C=C/C(=O)OCC(CCCC)CC)CCCCCCCC | InChI=1S/2C12H20O4.2C8H17.Sn/c2*1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14;2*1-3-5-7-8-6-4-2;/h2*7-8,10H,3-6,9H2,1-2H3,(H,13,14);2*1,3-8H2,2H3;/q;;;;+2/p-2/b2*8-7+;;; | LUHRVCWDUSUHMP-FTHVFMQUSA-L | C40H72O8Sn | 799.7 | 800.424922 | null | 105 | 857 | 0 | 0 | 8 | 36 | 49 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 |
INDIUM TIN OXIDE | 050926-11-9 | 57,350,325 | null | O=[Sn].[In] | InChI=1S/In.O.Sn | AMGQUBHHOARCQH-UHFFFAOYSA-N | InOSn | 249.53 | 250.800996 | null | 17.1 | 2 | 0 | 0 | 1 | 0 | 3 | null | Sublimes at 982 °C | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 |
DI(2-ETHYLHEXYL) MALEATE | 000142-16-5 | 5,365,125 | bis(2-ethylhexyl) (Z)-but-2-enedioate | CCCCC(CC)COC(=O)/C=C\C(=O)OCC(CC)CCCC | InChI=1S/C20H36O4/c1-5-9-11-17(7-3)15-23-19(21)13-14-20(22)24-16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3/b14-13- | ROPXFXOUUANXRR-YPKPFQOOSA-N | C20H36O4 | 340.5 | 340.26136 | 6.5 | 52.6 | 329 | 0 | 0 | 4 | 16 | 24 | 185 °C CC | 164 °C @ 10 MM HG | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 |
TRIOCTYLAMINE | 001116-76-3 | 14,227 | N,N-dioctyloctan-1-amine | CCCCCCCCN(CCCCCCCC)CCCCCCCC | InChI=1S/C24H51N/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3 | XTAZYLNFDRKIHJ-UHFFFAOYSA-N | C24H51N | 353.7 | 353.402151 | 10.5 | 3.2 | 188 | 0 | 0 | 1 | 21 | 25 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 1 | 1 |
PENTADECAFLUOROOCTANOIC ACID, SILVER(1+) SALT | 000335-93-3 | 71,079 | silver 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate | C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-].[Ag+] | InChI=1S/C8HF15O2.Ag/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);/q;+1/p-1 | HXWHIGAHMKKVBV-UHFFFAOYSA-M | C8AgF15O2 | 520.93 | 519.87097 | null | 40.1 | 525 | 0 | 0 | 17 | 5 | 26 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
UNDECENAL | 001337-83-3 | 5,283,356 | (E)-undec-2-enal | CCCCCCCC/C=C/C=O | InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3/b10-9+ | PANBRUWVURLWGY-MDZDMXLPSA-N | C11H20O | 168.28 | 168.151415 | 4.2 | 17.1 | 116 | 0 | 0 | 1 | 8 | 12 | null | 115.00 °C. @ 10.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
SODIUM STEARATE | 000822-16-2 | 2,724,691 | sodium octadecanoate | CCCCCCCCCCCCCCCCCC(=O)[O-].[Na+] | InChI=1S/C18H36O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1 | RYYKJJJTJZKILX-UHFFFAOYSA-M | C18H35NaO2 | 306.5 | 306.253475 | null | 40.1 | 207 | 0 | 0 | 2 | 16 | 21 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1,1,1,2,3,4,4,5,5,5-DECAFLUOROPENTANE | 138495-42-8 | 86,240 | 1,1,1,2,2,3,4,5,5,5-decafluoropentane | C(C(C(F)(F)F)F)(C(C(F)(F)F)(F)F)F | InChI=1S/C5H2F10/c6-1(2(7)4(10,11)12)3(8,9)5(13,14)15/h1-2H | RIQRGMUSBYGDBL-UHFFFAOYSA-N | C5H2F10 | 252.05 | 251.999682 | 3.9 | 0 | 211 | 0 | 0 | 10 | 2 | 15 | >125.00 °C /1,1,1,2,3,4,4,5,5,5-Decafluoropentane/ | 55 °C | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-ETHYL-1-HEXANOL | 000104-76-7 | 7,720 | 2-ethylhexan-1-ol | CCCCC(CC)CO | InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3 | YIWUKEYIRIRTPP-UHFFFAOYSA-N | C8H18O | 130.23 | 130.135765 | 3.1 | 20.2 | 52 | 0 | 1 | 1 | 5 | 9 | 178 °F (NTP, 1992) | 363 to 365 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ACETIC ACID, ZIRCONIUM(4+) SALT | 004229-34-9 | 24,237 | zirconium(4+) tetraacetate | CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Zr+4] | InChI=1S/4C2H4O2.Zr/c4*1-2(3)4;/h4*1H3,(H,3,4);/q;;;;+4/p-4 | MFFVROSEPLMJAP-UHFFFAOYSA-J | C8H12O8Zr | 327.4 | 325.957916 | null | 161 | 25 | 0 | 0 | 8 | 0 | 17 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PERFLUOROOCTYL IODIDE | 000507-63-1 | 10,491 | 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodooctane | C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F | InChI=1S/C8F17I/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26 | KWXGJTSJUKTDQU-UHFFFAOYSA-N | C8F17I | 545.96 | 545.87733 | 6.8 | 0 | 527 | 0 | 0 | 17 | 6 | 26 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-HEXANESULFONAMIDE, 1,1,2,2,3,3,4,4,5,5,6,6,6-TRIDECAFLUORO-N-METHYL- | 068259-15-4 | 109,952 | 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-methylhexane-1-sulfonamide | CNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F | InChI=1S/C7H4F13NO2S/c1-21-24(22,23)7(19,20)5(14,15)3(10,11)2(8,9)4(12,13)6(16,17)18/h21H,1H3 | HPPDPHZGXWMRHN-UHFFFAOYSA-N | C7H4F13NO2S | 413.16 | 412.975516 | 3.9 | 54.6 | 572 | 0 | 1 | 16 | 6 | 24 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
DIYTTRIUM TRIOXIDE | 001314-36-9 | 159,374 | tris(oxygen(2-));bis(yttrium(3+)) | [O-2].[O-2].[O-2].[Y+3].[Y+3] | InChI=1S/3O.2Y/q3*-2;2*+3 | RUDFQVOCFDJEEF-UHFFFAOYSA-N | O3Y2 | 225.81 | 225.79642 | null | 3 | 0 | 0 | 0 | 3 | 0 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
CHORIONIC GONADOTROPIN | 009002-61-3 | 4,369,448 | (2S)-2-amino-6-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-6-oxohexanoic acid | C(C[C@@H](C(=O)O)N)CC(=O)N[C@@H](CS)C(=O)NCC(=O)O | InChI=1S/C11H19N3O6S/c12-6(11(19)20)2-1-3-8(15)14-7(5-21)10(18)13-4-9(16)17/h6-7,21H,1-5,12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1 | XFOOPZIJVVDYHI-BQBZGAKWSA-N | C11H19N3O6S | 321.35 | 321.099457 | -4.1 | 160 | 403 | 0 | 6 | 8 | 10 | 21 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 0 |
CHROMIUM(6+) DIBORIDE | 012007-16-8 | 6,336,856 | null | [B].[B].[Cr] | InChI=1S/2B.Cr | UHPOHYZTPBGPKO-UHFFFAOYSA-N | B2Cr | 73.62 | 73.959115 | null | 0 | 0 | 0 | 0 | 0 | 0 | 3 | null | null | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
NEODYMIUM IODIDE | 013813-24-6 | 83,745 | triiodoneodymium | I[Nd](I)I | InChI=1S/3HI.Nd/h3*1H;/q;;;+3/p-3 | DKSXWSAKLYQPQE-UHFFFAOYSA-K | I3Nd | 524.96 | 522.6211 | null | 0 | 8 | 0 | 0 | 0 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 |
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