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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,3-HEXANEDIONE | 003848-24-6 | 19,707 | hexane-2,3-dione | CCCC(=O)C(=O)C | InChI=1S/C6H10O2/c1-3-4-6(8)5(2)7/h3-4H2,1-2H3 | MWVFCEVNXHTDNF-UHFFFAOYSA-N | C6H10O2 | 114.14 | 114.06808 | 0.4 | 34.1 | 105 | 0 | 0 | 2 | 3 | 8 | 83 °F (NTP, 1992) | 262 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 |
2-PROPANOL, 1-(DIETHYLAMINO)- | 004402-32-8 | 95,387 | 1-(diethylamino)propan-2-ol | CCN(CC)CC(C)O | InChI=1S/C7H17NO/c1-4-8(5-2)6-7(3)9/h7,9H,4-6H2,1-3H3 | BHUXAQIVYLDUQV-UHFFFAOYSA-N | C7H17NO | 131.22 | 131.131014 | 0.7 | 23.5 | 61 | 0 | 1 | 2 | 4 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
3-BUTEN-1-OL, 2-METHYL- | 004516-90-9 | 94,292 | 2-methylbut-3-en-1-ol | CC(CO)C=C | InChI=1S/C5H10O/c1-3-5(2)4-6/h3,5-6H,1,4H2,2H3 | NVGOATMUHKIQQG-UHFFFAOYSA-N | C5H10O | 86.13 | 86.073165 | 1 | 20.2 | 41 | 0 | 1 | 1 | 2 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
4-HEXENAL, (Z)- | 004634-89-3 | 11,094,547 | (Z)-hex-4-enal | C/C=C\CCC=O | InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-3,6H,4-5H2,1H3/b3-2- | DPCMFIRORYQTCL-IHWYPQMZSA-N | C6H10O | 98.14 | 98.073165 | 1 | 17.1 | 64 | 0 | 0 | 1 | 3 | 7 | null | 125.00 to 129.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-BUTEN-1-OL, 2-METHYL- | 004675-87-0 | 6,433,417 | (E)-2-methylbut-2-en-1-ol | C/C=C(\C)/CO | InChI=1S/C5H10O/c1-3-5(2)4-6/h3,6H,4H2,1-2H3/b5-3+ | NEJDKFPXHQRVMV-HWKANZROSA-N | C5H10O | 86.13 | 86.073165 | 1 | 20.2 | 55 | 0 | 1 | 1 | 1 | 6 | null | 137.00 °C. @ 760.00 mm Hg | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
1-HEXEN-3-OL | 004798-44-1 | 20,928 | hex-1-en-3-ol | CCCC(C=C)O | InChI=1S/C6H12O/c1-3-5-6(7)4-2/h4,6-7H,2-3,5H2,1H3 | BVOSSZSHBZQJOI-UHFFFAOYSA-N | C6H12O | 100.16 | 100.088815 | 1.5 | 20.2 | 50 | 0 | 1 | 1 | 3 | 7 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
3-OCTANOL, ACETATE | 004864-61-3 | 521,238 | octan-3-yl acetate | CCCCCC(CC)OC(=O)C | InChI=1S/C10H20O2/c1-4-6-7-8-10(5-2)12-9(3)11/h10H,4-8H2,1-3H3 | STZUZYMKSMSTOU-UHFFFAOYSA-N | C10H20O2 | 172.26 | 172.14633 | 3.4 | 26.3 | 121 | 0 | 0 | 2 | 7 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1-HEPTEN-3-OL | 004938-52-7 | 21,057 | hept-1-en-3-ol | CCCCC(C=C)O | InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h4,7-8H,2-3,5-6H2,1H3 | PZKFYTOLVRCMOA-UHFFFAOYSA-N | C7H14O | 114.19 | 114.104465 | 2 | 20.2 | 59 | 0 | 1 | 1 | 4 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
SILANE, DIETHOXYDIETHYL- | 005021-93-2 | 78,726 | diethoxy(diethyl)silane | CCO[Si](CC)(CC)OCC | InChI=1S/C8H20O2Si/c1-5-9-11(7-3,8-4)10-6-2/h5-8H2,1-4H3 | ZMAPKOCENOWQRE-UHFFFAOYSA-N | C8H20O2Si | 176.33 | 176.123256 | null | 18.5 | 84 | 0 | 0 | 2 | 6 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-BUTANONE, 1-HYDROXY- | 005077-67-8 | 521,300 | 1-hydroxybutan-2-one | CCC(=O)CO | InChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3 | GFAZHVHNLUBROE-UHFFFAOYSA-N | C4H8O2 | 88.11 | 88.052429 | -0.2 | 37.3 | 49 | 0 | 1 | 2 | 2 | 6 | null | 152.00 to 154.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-PENTENAL, 4-METHYL- | 005362-56-1 | 21,458 | 4-methylpent-2-enal | CC(C)C=CC=O | InChI=1S/C6H10O/c1-6(2)4-3-5-7/h3-6H,1-2H3 | RIWPMNBTULNXOH-UHFFFAOYSA-N | C6H10O | 98.14 | 98.073165 | 1.3 | 17.1 | 72 | 0 | 0 | 1 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
SILANE, METHYLTRIPROPOXY- | 005581-66-8 | 79,692 | methyl(tripropoxy)silane | CCCO[Si](C)(OCCC)OCCC | InChI=1S/C10H24O3Si/c1-5-8-11-14(4,12-9-6-2)13-10-7-3/h5-10H2,1-4H3 | RJMRIDVWCWSWFR-UHFFFAOYSA-N | C10H24O3Si | 220.38 | 220.149471 | null | 27.7 | 109 | 0 | 0 | 3 | 9 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ACETONITRILE, (METHYLAMINO)- | 005616-32-0 | 36,652 | 2-(methylamino)acetonitrile | CNCC#N | InChI=1S/C3H6N2/c1-5-3-2-4/h5H,3H2,1H3 | PVVRRUUMHFWFQV-UHFFFAOYSA-N | C3H6N2 | 70.09 | 70.053098 | -0.4 | 35.8 | 49 | 0 | 1 | 2 | 1 | 5 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-BUTENOIC ACID, 2-METHYL-, ETHYL ESTER, (E)- | 005837-78-5 | 108,343 | ethyl 2-methylbut-2-enoate | CCOC(=O)C(=CC)C | InChI=1S/C7H12O2/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3 | OAPHLAAOJMTMLY-UHFFFAOYSA-N | C7H12O2 | 128.17 | 128.08373 | 1.7 | 26.3 | 125 | 0 | 0 | 2 | 3 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-PENTANONE, 5-CHLORO- | 005891-21-4 | 79,993 | 5-chloropentan-2-one | CC(=O)CCCCl | InChI=1S/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3 | XVRIEWDDMODMGA-UHFFFAOYSA-N | C5H9ClO | 120.58 | 120.034193 | 0.8 | 17.1 | 61 | 0 | 0 | 1 | 3 | 7 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
SILANE, (DICHLOROMETHYL)TRIMETHYL- | 005926-38-5 | 80,026 | dichloromethyl(trimethyl)silane | C[Si](C)(C)C(Cl)Cl | InChI=1S/C4H10Cl2Si/c1-7(2,3)4(5)6/h4H,1-3H3 | XJTUNBKAWATELL-UHFFFAOYSA-N | C4H10Cl2Si | 157.11 | 155.992882 | null | 0 | 55 | 0 | 0 | 0 | 1 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ACETONITRILE, DIETHOXY- | 006136-93-2 | 80,223 | 2,2-diethoxyacetonitrile | CCOC(C#N)OCC | InChI=1S/C6H11NO2/c1-3-8-6(5-7)9-4-2/h6H,3-4H2,1-2H3 | UDELMRIGXNCYLU-UHFFFAOYSA-N | C6H11NO2 | 129.16 | 129.078979 | 0.6 | 42.3 | 98 | 0 | 0 | 3 | 4 | 9 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
3-HEPTANONE, 4-METHYL- | 006137-11-7 | 22,512 | 4-methylheptan-3-one | CCCC(C)C(=O)CC | InChI=1S/C8H16O/c1-4-6-7(3)8(9)5-2/h7H,4-6H2,1-3H3 | MVLRILUUXLBENA-UHFFFAOYSA-N | C8H16O | 128.21 | 128.120115 | 2.4 | 17.1 | 86 | 0 | 0 | 1 | 4 | 9 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-PENTYN-1-OL | 006261-22-9 | 80,421 | pent-2-yn-1-ol | CCC#CCO | InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3 | WLPYSOCRPHTIDZ-UHFFFAOYSA-N | C5H8O | 84.12 | 84.057515 | 0.6 | 20.2 | 72 | 0 | 1 | 1 | 0 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-BUTENOIC ACID, 2-METHYL-, METHYL ESTER, (E)- | 006622-76-0 | 5,323,652 | methyl (E)-2-methylbut-2-enoate | C/C=C(\C)/C(=O)OC | InChI=1S/C6H10O2/c1-4-5(2)6(7)8-3/h4H,1-3H3/b5-4+ | YYJWBYNQJLBIGS-SNAWJCMRSA-N | C6H10O2 | 114.14 | 114.06808 | 1.3 | 26.3 | 114 | 0 | 0 | 2 | 2 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
4-HEPTENAL, (Z)- | 006728-31-0 | 5,362,814 | (Z)-hept-4-enal | CC/C=C\CCC=O | InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-4,7H,2,5-6H2,1H3/b4-3- | VVGOCOMZRGWHPI-ARJAWSKDSA-N | C7H12O | 112.17 | 112.088815 | 1.4 | 17.1 | 74 | 0 | 0 | 1 | 4 | 8 | null | 60.00 °C. @ 30.00 mm Hg | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
2-BUTEN-1-OL, ACETATE, (E)- | 007204-29-7 | 5,363,082 | [(E)-but-2-enyl] acetate | C/C=C/COC(=O)C | InChI=1S/C6H10O2/c1-3-4-5-8-6(2)7/h3-4H,5H2,1-2H3/b4-3+ | WNHXJHGRIHUOTG-ONEGZZNKSA-N | C6H10O2 | 114.14 | 114.06808 | 1.2 | 26.3 | 94 | 0 | 0 | 2 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PROPANOIC ACID, 3-[(2-METHOXY-2-OXOETHYL)THIO]-, METHYL ESTER | 007400-45-5 | 81,891 | methyl 3-(2-methoxy-2-oxoethyl)sulfanylpropanoate | COC(=O)CCSCC(=O)OC | InChI=1S/C7H12O4S/c1-10-6(8)3-4-12-5-7(9)11-2/h3-5H2,1-2H3 | XNDKLLFGXIEGKL-UHFFFAOYSA-N | C7H12O4S | 192.24 | 192.04563 | 0.6 | 77.9 | 157 | 0 | 0 | 5 | 7 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
3,5-HEPTANEDIONE | 007424-54-6 | 81,923 | heptane-3,5-dione | CCC(=O)CC(=O)CC | InChI=1S/C7H12O2/c1-3-6(8)5-7(9)4-2/h3-5H2,1-2H3 | DGCTVLNZTFDPDJ-UHFFFAOYSA-N | C7H12O2 | 128.17 | 128.08373 | 0.7 | 34.1 | 102 | 0 | 0 | 2 | 4 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
BUTANOIC ACID, 2-ETHYL-, 2-PROPENYL ESTER | 007493-69-8 | 61,408 | prop-2-enyl 2-ethylbutanoate | CCC(CC)C(=O)OCC=C | InChI=1S/C9H16O2/c1-4-7-11-9(10)8(5-2)6-3/h4,8H,1,5-7H2,2-3H3 | NBKXNUWCFMZFMM-UHFFFAOYSA-N | C9H16O2 | 156.22 | 156.11503 | 2.5 | 26.3 | 126 | 0 | 0 | 2 | 6 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-BUTENOIC ACID, 2-METHYL-, 2-METHYLPROPYL ESTER, (Z)- | 007779-81-9 | 5,367,807 | 2-methylpropyl (Z)-2-methylbut-2-enoate | C/C=C(/C)\C(=O)OCC(C)C | InChI=1S/C9H16O2/c1-5-8(4)9(10)11-6-7(2)3/h5,7H,6H2,1-4H3/b8-5- | XDEGQMQKHFPBEW-YVMONPNESA-N | C9H16O2 | 156.22 | 156.11503 | 2.9 | 26.3 | 157 | 0 | 0 | 2 | 4 | 11 | null | 176.00 to 177.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ACETIC ACID, 2-ETHYLBUTYL ESTER | 010031-87-5 | 61,448 | 2-ethylbutyl acetate | CCC(CC)COC(=O)C | InChI=1S/C8H16O2/c1-4-8(5-2)6-10-7(3)9/h8H,4-6H2,1-3H3 | HQLKZWRSOHTERR-UHFFFAOYSA-N | C8H16O2 | 144.21 | 144.11503 | 2.6 | 26.3 | 95 | 0 | 0 | 2 | 5 | 10 | 130 °F (NFPA, 2010) | 161.00 to 163.00 °C. @ 740.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
HEPTANE, 1,1-DIMETHOXY- | 010032-05-0 | 61,453 | 1,1-dimethoxyheptane | CCCCCCC(OC)OC | InChI=1S/C9H20O2/c1-4-5-6-7-8-9(10-2)11-3/h9H,4-8H2,1-3H3 | BBMCNYFBAIUERL-UHFFFAOYSA-N | C9H20O2 | 160.25 | 160.14633 | 3 | 18.5 | 70 | 0 | 0 | 2 | 7 | 11 | null | 81.00 °C. @ 30.00 mm Hg | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
BUTANOIC ACID, 2-METHYL-, HEXYL ESTER | 010032-15-2 | 24,838 | hexyl 2-methylbutanoate | CCCCCCOC(=O)C(C)CC | InChI=1S/C11H22O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h10H,4-9H2,1-3H3 | YUECNVSODFDKOQ-UHFFFAOYSA-N | C11H22O2 | 186.29 | 186.16198 | 3.8 | 26.3 | 132 | 0 | 0 | 2 | 8 | 13 | null | 105.00 °C. @ 30.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-HEXEN-1-OL, ACETATE | 010094-40-3 | 17,243 | hex-2-enyl acetate | CCCC=CCOC(=O)C | InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3 | HRHOWZHRCRZVCU-UHFFFAOYSA-N | C8H14O2 | 142.2 | 142.09938 | 2 | 26.3 | 116 | 0 | 0 | 2 | 5 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-BUTENOIC ACID, ETHYL ESTER | 010544-63-5 | 12,191 | ethyl but-2-enoate | CCOC(=O)C=CC | InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3 | ZFDIRQKJPRINOQ-UHFFFAOYSA-N | C6H10O2 | 114.14 | 114.06808 | 1.3 | 26.3 | 94 | 0 | 0 | 2 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
SILICIC ACID, ETHYL ESTER | 011099-06-2 | 9,877,350 | ethoxy-hydroxy-oxosilane | CCO[Si](=O)O | InChI=1S/C2H6O3Si/c1-2-5-6(3)4/h3H,2H2,1H3 | JDAIJCNBFIWLJJ-UHFFFAOYSA-N | C2H6O3Si | 106.15 | 106.008621 | null | 46.5 | 52 | 0 | 1 | 3 | 2 | 6 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
2-BUTANONE, 1-(METHYLTHIO)- | 013678-58-5 | 61,656 | 1-methylsulfanylbutan-2-one | CCC(=O)CSC | InChI=1S/C5H10OS/c1-3-5(6)4-7-2/h3-4H2,1-2H3 | GOAGGJDTOMPTSA-UHFFFAOYSA-N | C5H10OS | 118.2 | 118.045236 | 1.1 | 42.4 | 61 | 0 | 0 | 2 | 3 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-PROPENOIC ACID, 2-METHYL-, 2,2,3,3,4,4,4-HEPTAFLUOROBUTYL ESTER | 013695-31-3 | 83,666 | 2,2,3,3,4,4,4-heptafluorobutyl 2-methylprop-2-enoate | CC(=C)C(=O)OCC(C(C(F)(F)F)(F)F)(F)F | InChI=1S/C8H7F7O2/c1-4(2)5(16)17-3-6(9,10)7(11,12)8(13,14)15/h1,3H2,2H3 | VIEHKBXCWMMOOU-UHFFFAOYSA-N | C8H7F7O2 | 268.13 | 268.033427 | 3.5 | 26.3 | 318 | 0 | 0 | 9 | 5 | 17 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-HEXENOIC ACID, METHYL ESTER, (E)- | 013894-63-8 | 5,364,409 | methyl (E)-hex-2-enoate | CCC/C=C/C(=O)OC | InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h5-6H,3-4H2,1-2H3/b6-5+ | GFUGBRNILVVWIE-AATRIKPKSA-N | C7H12O2 | 128.17 | 128.08373 | 1.9 | 26.3 | 105 | 0 | 0 | 2 | 4 | 9 | null | 168.00 to 170.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
METHANOL, DIETHOXY-, ACETATE | 014036-06-7 | 84,166 | diethoxymethyl acetate | CCOC(OCC)OC(=O)C | InChI=1S/C7H14O4/c1-4-9-7(10-5-2)11-6(3)8/h7H,4-5H2,1-3H3 | IRUNKQSGDBYUDC-UHFFFAOYSA-N | C7H14O4 | 162.18 | 162.089209 | 0.8 | 44.8 | 107 | 0 | 0 | 4 | 6 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-PENTENAL, 2-METHYL-, (E)- | 014250-96-5 | 5,319,754 | (E)-2-methylpent-2-enal | CC/C=C(\C)/C=O | InChI=1S/C6H10O/c1-3-4-6(2)5-7/h4-5H,3H2,1-2H3/b6-4+ | IDEYZABHVQLHAF-GQCTYLIASA-N | C6H10O | 98.14 | 98.073165 | 1.4 | 17.1 | 82 | 0 | 0 | 1 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
SILANE, ETHENYLTRIS[(1-METHYLETHENYL)OXY]- | 015332-99-7 | 84,872 | ethenyl-tris(prop-1-en-2-yloxy)silane | CC(=C)O[Si](C=C)(OC(=C)C)OC(=C)C | InChI=1S/C11H18O3Si/c1-8-15(12-9(2)3,13-10(4)5)14-11(6)7/h8H,1-2,4,6H2,3,5,7H3 | GBFVZTUQONJGSL-UHFFFAOYSA-N | C11H18O3Si | 226.34 | 226.102521 | null | 27.7 | 253 | 0 | 0 | 3 | 7 | 15 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
FORMAMIDE, N,N-BIS(TRIMETHYLSILYL)- | 015500-60-4 | 84,952 | N,N-bis(trimethylsilyl)formamide | C[Si](C)(C)N(C=O)[Si](C)(C)C | InChI=1S/C7H19NOSi2/c1-10(2,3)8(7-9)11(4,5)6/h7H,1-6H3 | FRCLVJBDJNNNGI-UHFFFAOYSA-N | C7H19NOSi2 | 189.4 | 189.100517 | null | 20.3 | 132 | 0 | 0 | 1 | 2 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PROPANE, 1-IODO-2,2-DIMETHYL- | 015501-33-4 | 84,953 | 1-iodo-2,2-dimethylpropane | CC(C)(C)CI | InChI=1S/C5H11I/c1-5(2,3)4-6/h4H2,1-3H3 | CJTZXIJETZZARD-UHFFFAOYSA-N | C5H11I | 198.05 | 197.99055 | 3.2 | 0 | 33 | 0 | 0 | 0 | 1 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
BUTANOIC ACID, 2-METHYL-, BUTYL ESTER | 015706-73-7 | 61,812 | butyl 2-methylbutanoate | CCCCOC(=O)C(C)CC | InChI=1S/C9H18O2/c1-4-6-7-11-9(10)8(3)5-2/h8H,4-7H2,1-3H3 | OTKQNSSMCDLVQV-UHFFFAOYSA-N | C9H18O2 | 158.24 | 158.13068 | 2.8 | 26.3 | 110 | 0 | 0 | 2 | 6 | 11 | null | 179.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
OCTANE, 3,6-DIMETHYL- | 015869-94-0 | 85,927 | 3,6-dimethyloctane | CCC(C)CCC(C)CC | InChI=1S/C10H22/c1-5-9(3)7-8-10(4)6-2/h9-10H,5-8H2,1-4H3 | JEEQUUSFXYRPRK-UHFFFAOYSA-N | C10H22 | 142.28 | 142.172151 | 5.1 | 0 | 56 | 0 | 0 | 0 | 5 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PROPANAL, 2-METHYL-2-(METHYLTHIO)- | 016042-21-0 | 85,250 | 2-methyl-2-methylsulfanylpropanal | CC(C)(C=O)SC | InChI=1S/C5H10OS/c1-5(2,4-6)7-3/h4H,1-3H3 | DIPLXSBTYRDLGV-UHFFFAOYSA-N | C5H10OS | 118.2 | 118.045236 | 1 | 42.4 | 68 | 0 | 0 | 2 | 2 | 7 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-PROPENE, 1,3,3-TRIMETHOXY- | 017576-35-1 | 86,587 | 1,3,3-trimethoxyprop-1-ene | COC=CC(OC)OC | InChI=1S/C6H12O3/c1-7-5-4-6(8-2)9-3/h4-6H,1-3H3 | JGVSIZVWGGQMPY-UHFFFAOYSA-N | C6H12O3 | 132.16 | 132.078644 | 0.3 | 27.7 | 76 | 0 | 0 | 3 | 4 | 9 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PROPANOIC ACID, 2-CHLORO-, METHYL ESTER | 017639-93-9 | 28,659 | methyl 2-chloropropanoate | CC(C(=O)OC)Cl | InChI=1S/C4H7ClO2/c1-3(5)4(6)7-2/h3H,1-2H3 | JLEJCNOTNLZCHQ-UHFFFAOYSA-N | C4H7ClO2 | 122.55 | 122.013457 | 1.1 | 26.3 | 72 | 0 | 0 | 2 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TRISILOXANE, 1,1,1,3,5,5,5-HEPTAMETHYL-3-[(TRIMETHYLSILYL)OXY]- | 017928-28-8 | 28,838 | trimethyl-[methyl-bis(trimethylsilyloxy)silyl]oxysilane | C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C | InChI=1S/C10H30O3Si4/c1-14(2,3)11-17(10,12-15(4,5)6)13-16(7,8)9/h1-10H3 | RGMZNZABJYWAEC-UHFFFAOYSA-N | C10H30O3Si4 | 310.68 | 310.127201 | null | 27.7 | 209 | 0 | 0 | 3 | 6 | 17 | 187 °F (NTP, 1992) | 381 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 |
SILANE, ETHENYLTRIS(1-METHYLETHOXY)- | 018023-33-1 | 87,409 | ethenyl-tri(propan-2-yloxy)silane | CC(C)O[Si](C=C)(OC(C)C)OC(C)C | InChI=1S/C11H24O3Si/c1-8-15(12-9(2)3,13-10(4)5)14-11(6)7/h8-11H,1H2,2-7H3 | MABAWBWRUSBLKQ-UHFFFAOYSA-N | C11H24O3Si | 232.39 | 232.149471 | null | 27.7 | 164 | 0 | 0 | 3 | 7 | 15 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
SILANE, (3-CHLOROPROPYL)DIMETHOXYMETHYL- | 018171-19-2 | 87,491 | 3-chloropropyl-dimethoxy-methylsilane | CO[Si](C)(CCCCl)OC | InChI=1S/C6H15ClO2Si/c1-8-10(3,9-2)6-4-5-7/h4-6H2,1-3H3 | KNTKCYKJRSMRMZ-UHFFFAOYSA-N | C6H15ClO2Si | 182.72 | 182.052984 | null | 18.5 | 85 | 0 | 0 | 2 | 5 | 10 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
SILANE, DIMETHOXYBIS(1-METHYLETHYL)- | 018230-61-0 | 87,520 | dimethoxy-di(propan-2-yl)silane | CC(C)[Si](C(C)C)(OC)OC | InChI=1S/C8H20O2Si/c1-7(2)11(9-5,10-6)8(3)4/h7-8H,1-6H3 | VHPUZTHRFWIGAW-UHFFFAOYSA-N | C8H20O2Si | 176.33 | 176.123256 | null | 18.5 | 98 | 0 | 0 | 2 | 4 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
SILANE, (2-CHLOROETHYL)TRIETHOXY- | 018279-67-9 | 87,550 | 2-chloroethyl(triethoxy)silane | CCO[Si](CCCl)(OCC)OCC | InChI=1S/C8H19ClO3Si/c1-4-10-13(8-7-9,11-5-2)12-6-3/h4-8H2,1-3H3 | IKBFHCBHLOZDKH-UHFFFAOYSA-N | C8H19ClO3Si | 226.77 | 226.079199 | null | 27.7 | 107 | 0 | 0 | 3 | 8 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
3,5-HEPTANEDIONE, 2,6-DIMETHYL- | 018362-64-6 | 87,597 | 2,6-dimethylheptane-3,5-dione | CC(C)C(=O)CC(=O)C(C)C | InChI=1S/C9H16O2/c1-6(2)8(10)5-9(11)7(3)4/h6-7H,5H2,1-4H3 | CEGGECULKVTYMM-UHFFFAOYSA-N | C9H16O2 | 156.22 | 156.11503 | 1.9 | 34.1 | 139 | 0 | 0 | 2 | 4 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
DISILOXANE, 1,3-DIETHOXY-1,1,3,3-TETRAMETHYL- | 018420-09-2 | 87,635 | ethoxy-[ethoxy(dimethyl)silyl]oxy-dimethylsilane | CCO[Si](C)(C)O[Si](C)(C)OCC | InChI=1S/C8H22O3Si2/c1-7-9-12(3,4)11-13(5,6)10-8-2/h7-8H2,1-6H3 | NPOYZXWZANURMM-UHFFFAOYSA-N | C8H22O3Si2 | 222.43 | 222.110748 | null | 27.7 | 132 | 0 | 0 | 3 | 6 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-HEPTANONE, 4,6-DIMETHYL- | 019549-80-5 | 89,180 | 4,6-dimethylheptan-2-one | CC(C)CC(C)CC(=O)C | InChI=1S/C9H18O/c1-7(2)5-8(3)6-9(4)10/h7-8H,5-6H2,1-4H3 | YXFDTUKUWNQPFV-UHFFFAOYSA-N | C9H18O | 142.24 | 142.135765 | 2.5 | 17.1 | 105 | 0 | 0 | 1 | 4 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
PROPANOIC ACID, 2-MERCAPTO-, ETHYL ESTER | 019788-49-9 | 519,709 | ethyl 2-sulfanylpropanoate | CCOC(=O)C(C)S | InChI=1S/C5H10O2S/c1-3-7-5(6)4(2)8/h4,8H,3H2,1-2H3 | LXXNWCFBZHKFPT-UHFFFAOYSA-N | C5H10O2S | 134.2 | 134.040151 | 1.2 | 27.3 | 82 | 0 | 1 | 3 | 3 | 8 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-PENTANONE, 4-MERCAPTO-4-METHYL- | 019872-52-7 | 88,290 | 4-methyl-4-sulfanylpentan-2-one | CC(=O)CC(C)(C)S | InChI=1S/C6H12OS/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3 | QRNZMFDCKKEPSX-UHFFFAOYSA-N | C6H12OS | 132.23 | 132.060886 | 0.8 | 18.1 | 96 | 0 | 1 | 2 | 2 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
7-DECENAL, (Z)- | 021661-97-2 | 5,362,695 | (Z)-dec-7-enal | CC/C=C\CCCCCC=O | InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h3-4,10H,2,5-9H2,1H3/b4-3- | UZFFFFWQKMPLAC-ARJAWSKDSA-N | C10H18O | 154.25 | 154.135765 | 2.9 | 17.1 | 105 | 0 | 0 | 1 | 7 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
3-HEXENE, 1-CHLORO-, (Z)- | 021676-01-7 | 6,436,531 | (Z)-1-chlorohex-3-ene | CC/C=C\CCCl | InChI=1S/C6H11Cl/c1-2-3-4-5-6-7/h3-4H,2,5-6H2,1H3/b4-3- | ODDBBUZTMLEZBW-ARJAWSKDSA-N | C6H11Cl | 118.6 | 118.054928 | 2.6 | 0 | 48 | 0 | 0 | 0 | 3 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PROPANENITRILE, 3-[2-(DIMETHYLAMINO)ETHOXY]- | 022397-29-1 | 89,692 | 3-[2-(dimethylamino)ethoxy]propanenitrile | CN(C)CCOCCC#N | InChI=1S/C7H14N2O/c1-9(2)5-7-10-6-3-4-8/h3,5-7H2,1-2H3 | MNAXYNVBGBASIG-UHFFFAOYSA-N | C7H14N2O | 142.2 | 142.110613 | -0.2 | 36.3 | 114 | 0 | 0 | 3 | 5 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-PROPANOL, 1-(2-METHYLPROPOXY)- | 023436-19-3 | 31,904 | 1-(2-methylpropoxy)propan-2-ol | CC(C)COCC(C)O | InChI=1S/C7H16O2/c1-6(2)4-9-5-7(3)8/h6-8H,4-5H2,1-3H3 | MWGRRMQNSQNFID-UHFFFAOYSA-N | C7H16O2 | 132.2 | 132.11503 | 1.2 | 29.5 | 61 | 0 | 1 | 2 | 4 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
BUTANETHIOIC ACID, 3-METHYL-, S-METHYL ESTER | 023747-45-7 | 90,246 | S-methyl 3-methylbutanethioate | CC(C)CC(=O)SC | InChI=1S/C6H12OS/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3 | MPLWTJZAFOVXKP-UHFFFAOYSA-N | C6H12OS | 132.23 | 132.060886 | 1.9 | 42.4 | 78 | 0 | 0 | 2 | 3 | 8 | null | 157.00 to 158.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PENTANE, 1-BROMO-2-METHYL- | 025346-33-2 | 91,416 | 1-bromo-2-methylpentane | CCCC(C)CBr | InChI=1S/C6H13Br/c1-3-4-6(2)5-7/h6H,3-5H2,1-2H3 | GSYMWZIKZUHBKV-UHFFFAOYSA-N | C6H13Br | 165.07 | 164.02006 | 3.2 | 0 | 35 | 0 | 0 | 0 | 3 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TERT-NONANETHIOL | 025360-10-5 | 520,196 | 2-methyloctane-2-thiol | CCCCCCC(C)(C)S | InChI=1S/C9H20S/c1-4-5-6-7-8-9(2,3)10/h10H,4-8H2,1-3H3 | MPBLPZLNKKGCGP-UHFFFAOYSA-N | C9H20S | 160.32 | 160.128572 | 4 | 1 | 76 | 0 | 1 | 1 | 5 | 10 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PENTANOIC ACID, 4-METHYL-, ETHYL ESTER | 025415-67-2 | 117,477 | ethyl 4-methylpentanoate | CCOC(=O)CCC(C)C | InChI=1S/C8H16O2/c1-4-10-8(9)6-5-7(2)3/h7H,4-6H2,1-3H3 | OFQRUTMGVBMTFQ-UHFFFAOYSA-N | C8H16O2 | 144.21 | 144.11503 | 2.1 | 26.3 | 97 | 0 | 0 | 2 | 5 | 10 | null | 160.00 to 163.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1-TRIDECYNE | 026186-02-7 | 117,754 | tridec-1-yne | CCCCCCCCCCCC#C | InChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h1H,4-13H2,2H3 | GZEDKDBFUBPZNG-UHFFFAOYSA-N | C13H24 | 180.33 | 180.187801 | 6.2 | 0 | 126 | 0 | 0 | 0 | 9 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
NONENE | 027215-95-8 | 33,744 | non-2-ene | CCCCCCC=CC | InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3,5H,4,6-9H2,1-2H3 | IICQZTQZQSBHBY-UHFFFAOYSA-N | C9H18 | 126.24 | 126.140851 | 4.8 | 0 | 62 | 0 | 0 | 0 | 5 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
3-HEXENE, 1-(1-ETHOXYETHOXY)-, (Z)- | 028069-74-1 | 5,366,352 | (Z)-1-(1-ethoxyethoxy)hex-3-ene | CC/C=C\CCOC(C)OCC | InChI=1S/C10H20O2/c1-4-6-7-8-9-12-10(3)11-5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6- | PAEBAEDUARAOSG-SREVYHEPSA-N | C10H20O2 | 172.26 | 172.14633 | 2.6 | 18.5 | 110 | 0 | 0 | 2 | 7 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
METHOXY-1-PROPANOL | 028677-93-2 | 3,032,390 | 1-methoxypropan-1-ol | CCC(O)OC | InChI=1S/C4H10O2/c1-3-4(5)6-2/h4-5H,3H2,1-2H3 | LHENQXAPVKABON-UHFFFAOYSA-N | C4H10O2 | 90.12 | 90.06808 | 0.5 | 29.5 | 28 | 0 | 1 | 2 | 2 | 6 | null | Very high (USCG, 1999) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PENTANE, 2-BROMO-4-METHYL- | 030310-22-6 | 121,776 | 2-bromo-4-methylpentane | CC(C)CC(C)Br | InChI=1S/C6H13Br/c1-5(2)4-6(3)7/h5-6H,4H2,1-3H3 | IUXIOXCOPJFKMQ-UHFFFAOYSA-N | C6H13Br | 165.07 | 164.02006 | 3.1 | 0 | 41 | 0 | 0 | 0 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2,4-HEXANEDIONE, 1,1,1-TRIFLUORO-5-METHYL- | 030984-28-2 | 160,191 | 1,1,1-trifluoro-5-methylhexane-2,4-dione | CC(C)C(=O)CC(=O)C(F)(F)F | InChI=1S/C7H9F3O2/c1-4(2)5(11)3-6(12)7(8,9)10/h4H,3H2,1-2H3 | LOTZGJDCTDDVCS-UHFFFAOYSA-N | C7H9F3O2 | 182.14 | 182.055464 | 2 | 34.1 | 193 | 0 | 0 | 5 | 3 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
BUTANOIC ACID, 3-METHYL-, 1-METHYLETHYL ESTER | 032665-23-9 | 61,914 | propan-2-yl 3-methylbutanoate | CC(C)CC(=O)OC(C)C | InChI=1S/C8H16O2/c1-6(2)5-8(9)10-7(3)4/h6-7H,5H2,1-4H3 | ZOIRKXLFEHOVER-UHFFFAOYSA-N | C8H16O2 | 144.21 | 144.11503 | 2.2 | 26.3 | 106 | 0 | 0 | 2 | 4 | 10 | null | 142.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
3-PENTANONE, 1-CHLORO- | 032830-97-0 | 96,526 | 1-chloropentan-3-one | CCC(=O)CCCl | InChI=1S/C5H9ClO/c1-2-5(7)3-4-6/h2-4H2,1H3 | APNSUHRNUVUCIP-UHFFFAOYSA-N | C5H9ClO | 120.58 | 120.034193 | 0.9 | 17.1 | 61 | 0 | 0 | 1 | 3 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
3-HEXEN-1-OL, FORMATE, (Z)- | 033467-73-1 | 5,365,587 | [(Z)-hex-3-enyl] formate | CC/C=C\CCOC=O | InChI=1S/C7H12O2/c1-2-3-4-5-6-9-7-8/h3-4,7H,2,5-6H2,1H3/b4-3- | XJHQVZQZUGLZLS-ARJAWSKDSA-N | C7H12O2 | 128.17 | 128.08373 | 1.9 | 26.3 | 86 | 0 | 0 | 2 | 5 | 9 | null | 72.00 °C. @ 40.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-HEPTEN-1-OL, (E)- | 033467-76-4 | 5,318,017 | (E)-hept-2-en-1-ol | CCCC/C=C/CO | InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h5-6,8H,2-4,7H2,1H3/b6-5+ | ASFYPVGAALGVNR-AATRIKPKSA-N | C7H14O | 114.19 | 114.104465 | 1.9 | 20.2 | 57 | 0 | 1 | 1 | 4 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-HEPTENAL, 2-PROPYL- | 034880-43-8 | 6,386,353 | (Z)-2-propylhept-2-enal | CCCC/C=C(/CCC)\C=O | InChI=1S/C10H18O/c1-3-5-6-8-10(9-11)7-4-2/h8-9H,3-7H2,1-2H3/b10-8- | GADNZGQWPNTMCH-NTMALXAHSA-N | C10H18O | 154.25 | 154.135765 | 3.4 | 17.1 | 125 | 0 | 0 | 1 | 6 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
BUTANOIC ACID, 3-METHYL-, 3-HEXENYL ESTER, (Z)- | 035154-45-1 | 5,367,681 | [(Z)-hex-3-enyl] 3-methylbutanoate | CC/C=C\CCOC(=O)CC(C)C | InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5- | AIQLNKITFBJPFO-WAYWQWQTSA-N | C11H20O2 | 184.27 | 184.14633 | 3.2 | 26.3 | 159 | 0 | 0 | 2 | 7 | 13 | null | 98.00 °C. @ 15.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1-BUTANAMINE, 3-METHYL-N-(3-METHYLBUTYLIDENE)- | 035448-31-8 | 118,823 | 3-methyl-N-(3-methylbutyl)butan-1-imine | CC(C)CCN=CCC(C)C | InChI=1S/C10H21N/c1-9(2)5-7-11-8-6-10(3)4/h7,9-10H,5-6,8H2,1-4H3 | WYNULUURQZBBSK-UHFFFAOYSA-N | C10H21N | 155.28 | 155.1674 | 2.8 | 12.4 | 103 | 0 | 0 | 1 | 5 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2,6-OCTADIENE-1-THIOL, 3,7-DIMETHYL- | 038237-00-2 | 6,365,572 | (2E)-3,7-dimethylocta-2,6-diene-1-thiol | CC(=CCC/C(=C/CS)/C)C | InChI=1S/C10H18S/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+ | FACAUSJJVBMWLV-JXMROGBWSA-N | C10H18S | 170.32 | 170.112922 | 3.9 | 1 | 150 | 0 | 1 | 1 | 4 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 |
PENTANOIC ACID, 2-METHYL-, ETHYL ESTER | 039255-32-8 | 62,902 | ethyl 2-methylpentanoate | CCCC(C)C(=O)OCC | InChI=1S/C8H16O2/c1-4-6-7(3)8(9)10-5-2/h7H,4-6H2,1-3H3 | HZPKNSYIDSNZKW-UHFFFAOYSA-N | C8H16O2 | 144.21 | 144.11503 | 2.4 | 26.3 | 99 | 0 | 0 | 2 | 5 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-HEPTENE, 2,4,4,6,6-PENTAMETHYL- | 039761-68-7 | 170,244 | 2,4,4,6,6-pentamethylhept-2-ene | CC(=CC(C)(C)CC(C)(C)C)C | InChI=1S/C12H24/c1-10(2)8-12(6,7)9-11(3,4)5/h8H,9H2,1-7H3 | DRHABPMHZRIRAH-UHFFFAOYSA-N | C12H24 | 168.32 | 168.187801 | 5.3 | 0 | 161 | 0 | 0 | 0 | 3 | 12 | null | 350.6 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-BUTANONE, 3-MERCAPTO- | 040789-98-8 | 38,679 | 3-sulfanylbutan-2-one | CC(C(=O)C)S | InChI=1S/C4H8OS/c1-3(5)4(2)6/h4,6H,1-2H3 | XLMPYCGSRHSSSX-UHFFFAOYSA-N | C4H8OS | 104.17 | 104.029586 | 0.7 | 18.1 | 60 | 0 | 1 | 2 | 1 | 6 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ETHANE, 1-(2-CHLOROETHOXY)-2-ETHOXY- | 041771-35-1 | 170,577 | 1-(2-chloroethoxy)-2-ethoxyethane | CCOCCOCCCl | InChI=1S/C6H13ClO2/c1-2-8-5-6-9-4-3-7/h2-6H2,1H3 | NDDRUUNXMMRCIV-UHFFFAOYSA-N | C6H13ClO2 | 152.62 | 152.060407 | 0.8 | 18.5 | 50 | 0 | 0 | 2 | 6 | 9 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-PROPENOIC ACID, 2-METHYLBUTYL ESTER | 044914-03-6 | 162,070 | 2-methylbutyl prop-2-enoate | CCC(C)COC(=O)C=C | InChI=1S/C8H14O2/c1-4-7(3)6-10-8(9)5-2/h5,7H,2,4,6H2,1,3H3 | NCTBYWFEJFTVEL-UHFFFAOYSA-N | C8H14O2 | 142.2 | 142.09938 | 2.6 | 26.3 | 118 | 0 | 0 | 2 | 5 | 10 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
1,3,7-NONATRIENE, 4,8-DIMETHYL- | 051911-82-1 | 103,555 | 4,8-dimethylnona-1,3,7-triene | CC(=CCCC(=CC=C)C)C | InChI=1S/C11H18/c1-5-7-11(4)9-6-8-10(2)3/h5,7-8H,1,6,9H2,2-4H3 | LUKZREJJLWEWQM-UHFFFAOYSA-N | C11H18 | 150.26 | 150.140851 | 4.6 | 0 | 166 | 0 | 0 | 0 | 4 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1,2-ETHOXYPROPANOL | 052125-53-8 | 93,269 | 1-ethoxypropan-1-ol | CCC(O)OCC | InChI=1S/C5H12O2/c1-3-5(6)7-4-2/h5-6H,3-4H2,1-2H3 | JLBXCKSMESLGTJ-UHFFFAOYSA-N | C5H12O2 | 104.15 | 104.08373 | 0.8 | 29.5 | 37 | 0 | 1 | 2 | 3 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
HEPTANE, 1-BROMO-6-METHYL- | 052648-04-1 | 104,270 | 1-bromo-6-methylheptane | CC(C)CCCCCBr | InChI=1S/C8H17Br/c1-8(2)6-4-3-5-7-9/h8H,3-7H2,1-2H3 | BFYPQDKZLOZOLQ-UHFFFAOYSA-N | C8H17Br | 193.12 | 192.05136 | 4.6 | 0 | 50 | 0 | 0 | 0 | 5 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ETHANE, 1-(2-CHLOROETHOXY)-2-METHOXY- | 052808-36-3 | 94,934 | 1-(2-chloroethoxy)-2-methoxyethane | COCCOCCCl | InChI=1S/C5H11ClO2/c1-7-4-5-8-3-2-6/h2-5H2,1H3 | JIQXRLOYKOJECL-UHFFFAOYSA-N | C5H11ClO2 | 138.59 | 138.044757 | 0.4 | 18.5 | 41 | 0 | 0 | 2 | 5 | 8 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-HEXEN-1-OL, FORMATE, (E)- | 053398-78-0 | 5,352,972 | [(E)-hex-2-enyl] formate | CCC/C=C/COC=O | InChI=1S/C7H12O2/c1-2-3-4-5-6-9-7-8/h4-5,7H,2-3,6H2,1H3/b5-4+ | SLWYMCAVYPZTRN-SNAWJCMRSA-N | C7H12O2 | 128.17 | 128.08373 | 2 | 26.3 | 86 | 0 | 0 | 2 | 5 | 9 | null | 42.00 °C. @ 1.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
4-PENTENOIC ACID, 2-METHYL-, ETHYL ESTER | 053399-81-8 | 62,024 | ethyl 2-methylpent-4-enoate | CCOC(=O)C(C)CC=C | InChI=1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h4,7H,1,5-6H2,2-3H3 | BDBGKYIBDXAVMX-UHFFFAOYSA-N | C8H14O2 | 142.2 | 142.09938 | 2.1 | 26.3 | 118 | 0 | 0 | 2 | 5 | 10 | null | 153.00 to 155.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-BUTANOL, 1-METHOXY- | 053778-73-7 | 40,895 | 1-methoxybutan-2-ol | CCC(COC)O | InChI=1S/C5H12O2/c1-3-5(6)4-7-2/h5-6H,3-4H2,1-2H3 | CSZZMFWKAQEMPB-UHFFFAOYSA-N | C5H12O2 | 104.15 | 104.08373 | 0.4 | 29.5 | 37 | 0 | 1 | 2 | 3 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1,5-DECADIYNE | 053963-03-4 | 104,660 | deca-1,5-diyne | CCCCC#CCCC#C | InChI=1S/C10H14/c1-3-5-7-9-10-8-6-4-2/h1H,4-8H2,2H3 | IWIDILFDSIIOSB-UHFFFAOYSA-N | C10H14 | 134.22 | 134.10955 | 3.4 | 0 | 166 | 0 | 0 | 0 | 3 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
OCTANE, 1,1-DIETHOXY- | 054889-48-4 | 101,364 | 1,1-diethoxyoctane | CCCCCCCC(OCC)OCC | InChI=1S/C12H26O2/c1-4-7-8-9-10-11-12(13-5-2)14-6-3/h12H,4-11H2,1-3H3 | BRKIPAWFUDCCOO-UHFFFAOYSA-N | C12H26O2 | 202.33 | 202.19328 | 4.2 | 18.5 | 98 | 0 | 0 | 2 | 10 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-OCTANONE, 5-METHYL- | 058654-67-4 | 42,802 | 5-methyloctan-2-one | CCCC(C)CCC(=O)C | InChI=1S/C9H18O/c1-4-5-8(2)6-7-9(3)10/h8H,4-7H2,1-3H3 | UPVLGOPSYZTLGB-UHFFFAOYSA-N | C9H18O | 142.24 | 142.135765 | 2.9 | 17.1 | 96 | 0 | 0 | 1 | 5 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
HEPTANE, 2,2,4,4,6-PENTAMETHYL- | 062199-62-6 | 112,817 | 2,2,4,4,6-pentamethylheptane | CC(C)CC(C)(C)CC(C)(C)C | InChI=1S/C12H26/c1-10(2)8-12(6,7)9-11(3,4)5/h10H,8-9H2,1-7H3 | NOFQKTWPZFUCOO-UHFFFAOYSA-N | C12H26 | 170.33 | 170.203451 | 5.6 | 0 | 123 | 0 | 0 | 0 | 4 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PETROLEUM SPIRITS; (MINERALV SPIRITS NAPHTHA, SEEREV.14,630) | 064475-85-0 | 168,266,335 | terbium | [Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].[Tb].... | InChI=1S/85Tb | GILOWISGYVOJTQ-UHFFFAOYSA-N | Tb85 | 13,508.655 | 13,508.655 | null | 0 | 0 | 0 | 0 | 0 | 0 | 85 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
BUTANOIC ACID, 2-METHYL-, 1-METHYLETHYL ESTER | 066576-71-4 | 522,214 | propan-2-yl 2-methylbutanoate | CCC(C)C(=O)OC(C)C | InChI=1S/C8H16O2/c1-5-7(4)8(9)10-6(2)3/h6-7H,5H2,1-4H3 | DIRDKDDFAMNBNY-UHFFFAOYSA-N | C8H16O2 | 144.21 | 144.11503 | 2.3 | 26.3 | 108 | 0 | 0 | 2 | 4 | 10 | null | 140.00 to 144.00 °C. @ 727.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PROPANE, 2-(2-METHOXYETHOXY)-2-METHYL- | 066728-50-5 | 105,381 | 2-(2-methoxyethoxy)-2-methylpropane | CC(C)(C)OCCOC | InChI=1S/C7H16O2/c1-7(2,3)9-6-5-8-4/h5-6H2,1-4H3 | FQQBAHSCHMASLR-UHFFFAOYSA-N | C7H16O2 | 132.2 | 132.11503 | 0.9 | 18.5 | 63 | 0 | 0 | 2 | 4 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
SILANE, DIETHENYLDIETHOXY- | 067892-60-8 | 105,986 | bis(ethenyl)-diethoxysilane | CCO[Si](C=C)(C=C)OCC | InChI=1S/C8H16O2Si/c1-5-9-11(7-3,8-4)10-6-2/h7-8H,3-6H2,1-2H3 | CSXPRVTYIFRYPR-UHFFFAOYSA-N | C8H16O2Si | 172.3 | 172.091956 | null | 18.5 | 118 | 0 | 0 | 2 | 6 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
9-UNDECEN-2-ONE, 4-HYDROXY-3,6,10-TRIMETHYL- | 068141-16-2 | 109,182 | 4-hydroxy-3,6,10-trimethylundec-9-en-2-one | CC(CCC=C(C)C)CC(C(C)C(=O)C)O | InChI=1S/C14H26O2/c1-10(2)7-6-8-11(3)9-14(16)12(4)13(5)15/h7,11-12,14,16H,6,8-9H2,1-5H3 | DBYVTQFXXWPQMN-UHFFFAOYSA-N | C14H26O2 | 226.35 | 226.19328 | 3.5 | 37.3 | 239 | 0 | 1 | 2 | 7 | 16 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
10-DODECEN-3-ONE, 5-HYDROXY-7,11-DIMETHYL- | 068922-12-3 | 111,441 | 5-hydroxy-7,11-dimethyldodec-10-en-3-one | CCC(=O)CC(CC(C)CCC=C(C)C)O | InChI=1S/C14H26O2/c1-5-13(15)10-14(16)9-12(4)8-6-7-11(2)3/h7,12,14,16H,5-6,8-10H2,1-4H3 | LZCOUZAIBZKDOG-UHFFFAOYSA-N | C14H26O2 | 226.35 | 226.19328 | 3.4 | 37.3 | 227 | 0 | 1 | 2 | 8 | 16 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ISOOCTANE, 1,1-DIETHOXY- | 069178-43-4 | 112,252 | 1,1-diethoxy-6-methylheptane | CCOC(CCCCC(C)C)OCC | InChI=1S/C12H26O2/c1-5-13-12(14-6-2)10-8-7-9-11(3)4/h11-12H,5-10H2,1-4H3 | UGEOLDGWHXDZBP-UHFFFAOYSA-N | C12H26O2 | 202.33 | 202.19328 | 4 | 18.5 | 107 | 0 | 0 | 2 | 9 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
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