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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
FLUOROACETONE | 000430-51-3 | 9,889 | 1-fluoropropan-2-one | CC(=O)CF | InChI=1S/C3H5FO/c1-3(5)2-4/h2H2,1H3 | MSWVMWGCNZQPIA-UHFFFAOYSA-N | C3H5FO | 76.07 | 76.032443 | 0.3 | 17.1 | 42 | 0 | 0 | 2 | 1 | 5 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ACETONE-2-13C | 003881-06-9 | 11,007,810 | (213C)propan-2-one | C[13C](=O)C | InChI=1S/C3H6O/c1-3(2)4/h1-2H3/i3+1 | CSCPPACGZOOCGX-LBPDFUHNSA-N | C3H6O | 59.07 | 59.04522 | -0.1 | 17.1 | 26 | 0 | 0 | 1 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
1-FLUORO-2-IODOETHANE | 000762-51-6 | 69,804 | 1-fluoro-2-iodoethane | C(CI)F | InChI=1S/C2H4FI/c3-1-2-4/h1-2H2 | LVYJIIRJQDEGBR-UHFFFAOYSA-N | C2H4FI | 173.96 | 173.93418 | 1.7 | 0 | 10 | 0 | 0 | 1 | 1 | 4 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1,1-DICHLOROPROPANE | 000078-99-9 | 6,573 | 1,1-dichloropropane | CCC(Cl)Cl | InChI=1S/C3H6Cl2/c1-2-3(4)5/h3H,2H2,1H3 | WIHMGGWNMISDNJ-UHFFFAOYSA-N | C3H6Cl2 | 112.98 | 111.984656 | 2.5 | 0 | 18 | 0 | 0 | 0 | 1 | 5 | 70 °F (est.) (USCG, 1999) | 190.6 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ALUMINUM, CHLORODIETHYL- | 000096-10-6 | 7,277 | chloro(diethyl)alumane | CC[Al](CC)Cl | InChI=1S/2C2H5.Al.ClH/c2*1-2;;/h2*1H2,2H3;;1H/q;;+1;/p-1 | YNLAOSYQHBDIKW-UHFFFAOYSA-M | C4H10AlCl | 120.56 | 120.028641 | null | 0 | 26 | 0 | 0 | 0 | 2 | 6 | -23 °C (closed cup) | 208 °C | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1-BUTANAMINE, 2-METHYL- | 000096-15-1 | 7,283 | 2-methylbutan-1-amine | CCC(C)CN | InChI=1S/C5H13N/c1-3-5(2)4-6/h5H,3-4,6H2,1-2H3 | VJROPLWGFCORRM-UHFFFAOYSA-N | C5H13N | 87.16 | 87.104799 | 1 | 26 | 27 | 0 | 1 | 1 | 2 | 6 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SILANE, TRICHLORO-2-PROPENYL- | 000107-37-9 | 7,867 | trichloro(prop-2-enyl)silane | C=CC[Si](Cl)(Cl)Cl | InChI=1S/C3H5Cl3Si/c1-2-3-7(4,5)6/h2H,1,3H2 | HKFSBKQQYCMCKO-UHFFFAOYSA-N | C3H5Cl3Si | 175.51 | 173.92261 | null | 0 | 65 | 0 | 0 | 0 | 1 | 7 | 95 °F (USCG, 1999) | 241 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1-BUTANOL, 3-METHYL-, FORMATE | 000110-45-2 | 8,052 | 3-methylbutyl formate | CC(C)CCOC=O | InChI=1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3 | XKYICAQFSCFURC-UHFFFAOYSA-N | C6H12O2 | 116.16 | 116.08373 | 1.8 | 26.3 | 59 | 0 | 0 | 2 | 4 | 8 | null | 123.00 to 124.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
SILANE, DICHLOROETHENYLMETHYL- | 000124-70-9 | 31,299 | dichloro-ethenyl-methylsilane | C[Si](C=C)(Cl)Cl | InChI=1S/C3H6Cl2Si/c1-3-6(2,4)5/h3H,1H2,2H3 | YLJJAVFOBDSYAN-UHFFFAOYSA-N | C3H6Cl2Si | 141.07 | 139.961582 | null | 0 | 59 | 0 | 0 | 0 | 1 | 6 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-PROPANOL, 1,1,1-TRIFLUORO- | 000374-01-6 | 9,774 | 1,1,1-trifluoropropan-2-ol | CC(C(F)(F)F)O | InChI=1S/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H3 | GILIYJDBJZWGBG-UHFFFAOYSA-N | C3H5F3O | 114.07 | 114.029249 | 0.7 | 20.2 | 57 | 0 | 1 | 4 | 0 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ACETIC ACID, CHLORODIFLUORO-, ETHYL ESTER | 000383-62-0 | 67,843 | ethyl 2-chloro-2,2-difluoroacetate | CCOC(=O)C(F)(F)Cl | InChI=1S/C4H5ClF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3 | GVCAWQUJCHZRCB-UHFFFAOYSA-N | C4H5ClF2O2 | 158.53 | 157.994613 | 1.4 | 26.3 | 115 | 0 | 0 | 4 | 3 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ACETIC ACID, TRIFLUORO-, TRIMETHYLSILYL ESTER | 000400-53-3 | 67,863 | trimethylsilyl 2,2,2-trifluoroacetate | C[Si](C)(C)OC(=O)C(F)(F)F | InChI=1S/C5H9F3O2Si/c1-11(2,3)10-4(9)5(6,7)8/h1-3H3 | VIYXXANHGYSBLY-UHFFFAOYSA-N | C5H9F3O2Si | 186.2 | 186.032391 | null | 26.3 | 158 | 0 | 0 | 5 | 2 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ETHENE, (2,2,2-TRIFLUOROETHOXY)- | 000406-90-6 | 9,844 | 2-ethenoxy-1,1,1-trifluoroethane | C=COCC(F)(F)F | InChI=1S/C4H5F3O/c1-2-8-3-4(5,6)7/h2H,1,3H2 | DLEGDLSLRSOURQ-UHFFFAOYSA-N | C4H5F3O | 126.08 | 126.029249 | 1.9 | 9.2 | 75 | 0 | 0 | 4 | 2 | 8 | null | 109 °F at 760 mmHg (NIOSH, 2024) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
METHYL FLUOROSULFATE | 000421-20-5 | 9,870 | fluorosulfonyloxymethane | COS(=O)(=O)F | InChI=1S/CH3FO3S/c1-5-6(2,3)4/h1H3 | MBXNQZHITVCSLJ-UHFFFAOYSA-N | CH3FO3S | 114.1 | 113.978693 | 0.2 | 51.8 | 107 | 0 | 0 | 4 | 1 | 6 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PROPANOIC ACID, PENTAFLUORO-, ETHYL ESTER | 000426-65-3 | 67,928 | ethyl 2,2,3,3,3-pentafluoropropanoate | CCOC(=O)C(C(F)(F)F)(F)F | InChI=1S/C5H5F5O2/c1-2-12-3(11)4(6,7)5(8,9)10/h2H2,1H3 | DBOFMRQAMAZKQY-UHFFFAOYSA-N | C5H5F5O2 | 192.08 | 192.02097 | 2.1 | 26.3 | 173 | 0 | 0 | 7 | 3 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ACETIC ACID, DIFLUORO-, ETHYL ESTER | 000454-31-9 | 9,961 | ethyl 2,2-difluoroacetate | CCOC(=O)C(F)F | InChI=1S/C4H6F2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3 | GZKHDVAKKLTJPO-UHFFFAOYSA-N | C4H6F2O2 | 124.09 | 124.033586 | 0.9 | 26.3 | 82 | 0 | 0 | 4 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
BUTANE, 2-BROMO-2-METHYL- | 000507-36-8 | 68,180 | 2-bromo-2-methylbutane | CCC(C)(C)Br | InChI=1S/C5H11Br/c1-4-5(2,3)6/h4H2,1-3H3 | JOUWCKCVTDSMHF-UHFFFAOYSA-N | C5H11Br | 151.04 | 150.00441 | 2.5 | 0 | 39 | 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 |
2-BUTANETHIOL | 000513-53-1 | 10,560 | butane-2-thiol | CCC(C)S | InChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3 | LOCHFZBWPCLPAN-UHFFFAOYSA-N | C4H10S | 90.19 | 90.050321 | 1.8 | 1 | 19 | 0 | 1 | 1 | 1 | 5 | -10 °F (-23 °C) (Closed cup) | 84-85 °C | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
FORMIC ACID, 2-METHYLPROPYL ESTER | 000542-55-2 | 10,957 | 2-methylpropyl formate | CC(C)COC=O | InChI=1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3 | AVMSWPWPYJVYKY-UHFFFAOYSA-N | C5H10O2 | 102.13 | 102.06808 | 1.5 | 26.3 | 50 | 0 | 0 | 2 | 3 | 7 | less than 70 °F (NFPA, 2010) | 97.00 to 99.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
SILANE, DIETHYL- | 000542-91-6 | 68,337 | diethylsilane | CC[SiH2]CC | InChI=1S/C4H12Si/c1-3-5-4-2/h3-5H2,1-2H3 | UCXUKTLCVSGCNR-UHFFFAOYSA-N | C4H12Si | 88.22 | 88.070827 | null | 0 | 11 | 0 | 0 | 0 | 2 | 5 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-PROPENE, 2-BROMO- | 000557-93-7 | 11,202 | 2-bromoprop-1-ene | CC(=C)Br | InChI=1S/C3H5Br/c1-3(2)4/h1H2,2H3 | PHMRPWPDDRGGGF-UHFFFAOYSA-N | C3H5Br | 120.98 | 119.95746 | 1.9 | 0 | 30 | 0 | 0 | 0 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PENTANE, 2,3,3-TRIMETHYL- | 000560-21-4 | 11,215 | 2,3,3-trimethylpentane | CCC(C)(C)C(C)C | InChI=1S/C8H18/c1-6-8(4,5)7(2)3/h7H,6H2,1-5H3 | OKVWYBALHQFVFP-UHFFFAOYSA-N | C8H18 | 114.23 | 114.140851 | 3.8 | 0 | 60 | 0 | 0 | 0 | 2 | 8 | null | null | 1 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
3,3-DIMETHYLPENTANE | 000562-49-2 | 11,229 | 3,3-dimethylpentane | CCC(C)(C)CC | InChI=1S/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H3 | AEXMKKGTQYQZCS-UHFFFAOYSA-N | C7H16 | 100.2 | 100.125201 | 3.6 | 0 | 38 | 0 | 0 | 0 | 2 | 7 | null | null | 1 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
HEXANE, 3,4-DIMETHYL- | 000583-48-2 | 11,412 | 3,4-dimethylhexane | CCC(C)C(C)CC | InChI=1S/C8H18/c1-5-7(3)8(4)6-2/h7-8H,5-6H2,1-4H3 | RNTWWGNZUXGTAX-UHFFFAOYSA-N | C8H18 | 114.23 | 114.140851 | 4 | 0 | 40 | 0 | 0 | 0 | 3 | 8 | null | null | 1 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
FORMIC ACID, 1-METHYLPROPYL ESTER | 000589-40-2 | 79,049 | butan-2-yl formate | CCC(C)OC=O | InChI=1S/C5H10O2/c1-3-5(2)7-4-6/h4-5H,3H2,1-2H3 | OAEQYDZVVPONKW-UHFFFAOYSA-N | C5H10O2 | 102.13 | 102.06808 | 1.5 | 26.3 | 52 | 0 | 0 | 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-PROPENE, 1-BROMO- | 000590-14-7 | 11,533 | 1-bromoprop-1-ene | CC=CBr | InChI=1S/C3H5Br/c1-2-3-4/h2-3H,1H3 | NNQDMQVWOWCVEM-UHFFFAOYSA-N | C3H5Br | 120.98 | 119.95746 | 1.8 | 0 | 22 | 0 | 0 | 0 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-BUTENE, 1-CHLORO- | 000591-97-9 | 11,589 | 1-chlorobut-2-ene | CC=CCCl | InChI=1S/C4H7Cl/c1-2-3-4-5/h2-3H,4H2,1H3 | YTKRILODNOEEPX-UHFFFAOYSA-N | C4H7Cl | 90.55 | 90.023628 | 1.7 | 0 | 30 | 0 | 0 | 0 | 1 | 5 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
PENTANE, 1-FLUORO- | 000592-50-7 | 11,603 | 1-fluoropentane | CCCCCF | InChI=1S/C5H11F/c1-2-3-4-5-6/h2-5H2,1H3 | OEPRBXUJOQLYID-UHFFFAOYSA-N | C5H11F | 90.14 | 90.084479 | 2.3 | 0 | 19 | 0 | 0 | 1 | 3 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-BUTANAMINE, 3-METHYL- | 000598-74-3 | 11,731 | 3-methylbutan-2-amine | CC(C)C(C)N | InChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3 | JOZZAIIGWFLONA-UHFFFAOYSA-N | C5H13N | 87.16 | 87.104799 | 1 | 26 | 32 | 0 | 1 | 1 | 1 | 6 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PENTANE, 3-CHLORO- | 000616-20-6 | 12,016 | 3-chloropentane | CCC(CC)Cl | InChI=1S/C5H11Cl/c1-3-5(6)4-2/h5H,3-4H2,1-2H3 | CXQSCYIVCSCSES-UHFFFAOYSA-N | C5H11Cl | 106.59 | 106.054928 | 2.7 | 0 | 23 | 0 | 0 | 0 | 2 | 6 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-BUTENOIC ACID, METHYL ESTER, (E)- | 000623-43-8 | 638,132 | methyl (E)-but-2-enoate | C/C=C/C(=O)OC | InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3-4H,1-2H3/b4-3+ | MCVVUJPXSBQTRZ-ONEGZZNKSA-N | C5H8O2 | 100.12 | 100.05243 | 0.9 | 26.3 | 84 | 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 |
PENTANOIC ACID, METHYL ESTER | 000624-24-8 | 12,206 | methyl pentanoate | CCCCC(=O)OC | InChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3 | HNBDRPTVWVGKBR-UHFFFAOYSA-N | C6H12O2 | 116.16 | 116.08373 | 2 | 26.3 | 68 | 0 | 0 | 2 | 4 | 8 | 72 °F (NTP, 1992) | 259.7 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PENTANE, 2-CHLORO- | 000625-29-6 | 12,245 | 2-chloropentane | CCCC(C)Cl | InChI=1S/C5H11Cl/c1-3-4-5(2)6/h5H,3-4H2,1-2H3 | NFRKUDYZEVQXTE-UHFFFAOYSA-N | C5H11Cl | 106.59 | 106.054928 | 2.5 | 0 | 27 | 0 | 0 | 0 | 2 | 6 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
3-PENTEN-2-ONE | 000625-33-2 | 637,920 | (E)-pent-3-en-2-one | C/C=C/C(=O)C | InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3+ | LABTWGUMFABVFG-ONEGZZNKSA-N | C5H8O | 84.12 | 84.057515 | 0.5 | 17.1 | 72 | 0 | 0 | 1 | 1 | 6 | null | 122.5 °C | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PROPANE, 2-ETHOXY- | 000625-54-7 | 12,256 | 2-ethoxypropane | CCOC(C)C | InChI=1S/C5H12O/c1-4-6-5(2)3/h5H,4H2,1-3H3 | XSJVWZAETSBXKU-UHFFFAOYSA-N | C5H12O | 88.15 | 88.088815 | 0.9 | 9.2 | 25 | 0 | 0 | 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 |
FORMIC ACID, 1-METHYLETHYL ESTER | 000625-55-8 | 12,257 | propan-2-yl formate | CC(C)OC=O | InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3 | RMOUBSOVHSONPZ-UHFFFAOYSA-N | C4H8O2 | 88.11 | 88.052429 | 0.9 | 26.3 | 40 | 0 | 0 | 2 | 2 | 6 | 22 °F (closed cup) | 68.2 °C at 760 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
ETHANETHIOIC ACID, S-ETHYL ESTER | 000625-60-5 | 61,171 | S-ethyl ethanethioate | CCSC(=O)C | InChI=1S/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H3 | APTGPWJUOYMUCE-UHFFFAOYSA-N | C4H8OS | 104.17 | 104.029586 | 1 | 42.4 | 51 | 0 | 0 | 2 | 2 | 6 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PROPANE, 1-(1-METHYLETHOXY)- | 000627-08-7 | 12,304 | 1-propan-2-yloxypropane | CCCOC(C)C | InChI=1S/C6H14O/c1-4-5-7-6(2)3/h6H,4-5H2,1-3H3 | JIEJJGMNDWIGBJ-UHFFFAOYSA-N | C6H14O | 102.17 | 102.104465 | 1.8 | 9.2 | 33 | 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 | 1 |
1-PROPENE, 3-METHOXY- | 000627-40-7 | 69,392 | 3-methoxyprop-1-ene | COCC=C | InChI=1S/C4H8O/c1-3-4-5-2/h3H,1,4H2,2H3 | FASUFOTUSHAIHG-UHFFFAOYSA-N | C4H8O | 72.11 | 72.057515 | 0.7 | 9.2 | 24 | 0 | 0 | 1 | 2 | 5 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1,5-HEXADIYNE | 000628-16-0 | 69,402 | hexa-1,5-diyne | C#CCCC#C | InChI=1S/C6H6/c1-3-5-6-4-2/h1-2H,5-6H2 | YFIBSNDOVCWPBL-UHFFFAOYSA-N | C6H6 | 78.11 | 78.04695 | 1.4 | 0 | 86 | 0 | 0 | 0 | 1 | 6 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
BUTANE, 1-(METHYLTHIO)- | 000628-29-5 | 12,339 | 1-methylsulfanylbutane | CCCCSC | InChI=1S/C5H12S/c1-3-4-5-6-2/h3-5H2,1-2H3 | WCXXISMIJBRDQK-UHFFFAOYSA-N | C5H12S | 104.22 | 104.065972 | 2.1 | 25.3 | 19 | 0 | 0 | 1 | 3 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
METHYLMAGNESIUM CHLORIDE | 000676-58-4 | 12,670 | magnesium;carbanide;chloride | [CH3-].[Mg+2].[Cl-] | InChI=1S/CH3.ClH.Mg/h1H3;1H;/q-1;;+2/p-1 | CCERQOYLJJULMD-UHFFFAOYSA-M | CH3ClMg | 74.79 | 73.97737 | null | 0 | 4 | 0 | 0 | 2 | 0 | 3 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
MAGNESIUM, BROMOPENTYL- | 000693-25-4 | 101,838 | magnesium;pentane;bromide | CCCC[CH2-].[Mg+2].[Br-] | InChI=1S/C5H11.BrH.Mg/c1-3-5-4-2;;/h1,3-5H2,2H3;1H;/q-1;;+2/p-1 | XWCQLLDGXBLGMD-UHFFFAOYSA-M | C5H11BrMg | 175.35 | 173.98945 | null | 0 | 17 | 0 | 0 | 2 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SILANE, ETHYLDIMETHYL- | 000758-21-4 | 69,795 | ethyl(dimethyl)silane | CC[SiH](C)C | InChI=1S/C4H12Si/c1-4-5(2)3/h5H,4H2,1-3H3 | QGBMSFLTRRZTGI-UHFFFAOYSA-N | C4H12Si | 88.22 | 88.070827 | null | 0 | 17 | 0 | 0 | 0 | 1 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
SILANE, DIETHYLMETHYL- | 000760-32-7 | 6,327,653 | null | CC[Si](C)CC | InChI=1S/C5H13Si/c1-4-6(3)5-2/h4-5H2,1-3H3 | JQZUMFHYRULBEN-UHFFFAOYSA-N | C5H13Si | 101.24 | 101.078652 | null | 0 | 23 | 0 | 0 | 0 | 2 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-PENTENAL | 000764-39-6 | 12,993 | pent-2-enal | CCC=CC=O | InChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3 | DTCCTIQRPGSLPT-UHFFFAOYSA-N | C5H8O | 84.12 | 84.057515 | 1 | 17.1 | 55 | 0 | 0 | 1 | 2 | 6 | null | null | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
3-BUTEN-2-ONE, 3-METHYL- | 000814-78-8 | 13,143 | 3-methylbut-3-en-2-one | CC(=C)C(=O)C | InChI=1S/C5H8O/c1-4(2)5(3)6/h1H2,2-3H3 | ZGHFDIIVVIFNPS-UHFFFAOYSA-N | C5H8O | 84.12 | 84.057515 | 0.9 | 17.1 | 81 | 0 | 0 | 1 | 1 | 6 | less than 73 °F (USCG, 1999) | 208 °F at 760 mmHg (USCG, 1999) | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-PENTENE, 3-ETHYL- | 000816-79-5 | 13,159 | 3-ethylpent-2-ene | CCC(=CC)CC | InChI=1S/C7H14/c1-4-7(5-2)6-3/h4H,5-6H2,1-3H3 | XMYFZAWUNVHVGI-UHFFFAOYSA-N | C7H14 | 98.19 | 98.10955 | 3.2 | 0 | 54 | 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 |
Ethane, azo- | 000821-14-7 | 13,183 | diethyldiazene | CCN=NCC | InChI=1S/C4H10N2/c1-3-5-6-4-2/h3-4H2,1-2H3 | INTMMHZKGCDQGT-UHFFFAOYSA-N | C4H10N2 | 86.14 | 86.084398 | 1 | 24.7 | 34 | 0 | 0 | 2 | 2 | 6 | null | null | 0 | 1 | 1 | 1 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
BUTANOIC ACID, 2-METHYL-, METHYL ESTER | 000868-57-5 | 13,357 | methyl 2-methylbutanoate | CCC(C)C(=O)OC | InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3 | OCWLYWIFNDCWRZ-UHFFFAOYSA-N | C6H12O2 | 116.16 | 116.08373 | 1.5 | 26.3 | 78 | 0 | 0 | 2 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
BUTANE, 2-ETHOXY-2-METHYL- | 000919-94-8 | 13,527 | 2-ethoxy-2-methylbutane | CCC(C)(C)OCC | InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3 | KFRVYYGHSPLXSZ-UHFFFAOYSA-N | C7H16O | 116.2 | 116.120115 | 2 | 9.2 | 57 | 0 | 0 | 1 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-PENTENE, 3-METHYL-, (Z)- | 000922-62-3 | 643,935 | (Z)-3-methylpent-2-ene | CC/C(=C\C)/C | InChI=1S/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3/b6-4- | BEQGRRJLJLVQAQ-XQRVVYSFSA-N | C6H12 | 84.16 | 84.0939 | 2.7 | 0 | 51 | 0 | 0 | 0 | 1 | 6 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
OXO-ACETIC ACID, ETHYL ESTER | 000924-44-7 | 70,211 | ethyl 2-oxoacetate | CCOC(=O)C=O | InChI=1S/C4H6O3/c1-2-7-4(6)3-5/h3H,2H2,1H3 | DBPFRRFGLYGEJI-UHFFFAOYSA-N | C4H6O3 | 102.09 | 102.031694 | 0.4 | 43.4 | 77 | 0 | 0 | 3 | 3 | 7 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 |
1,3-PENTADIENE, 4-METHYL- | 000926-56-7 | 13,555 | 4-methylpenta-1,3-diene | CC(=CC=C)C | InChI=1S/C6H10/c1-4-5-6(2)3/h4-5H,1H2,2-3H3 | CJSBUWDGPXGFGA-UHFFFAOYSA-N | C6H10 | 82.14 | 82.07825 | 2.7 | 0 | 64 | 0 | 0 | 0 | 1 | 6 | -30 °F (NFPA, 2010) | null | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-BUTENE, 4-CHLORO- | 000927-73-1 | 13,565 | 4-chlorobut-1-ene | C=CCCCl | InChI=1S/C4H7Cl/c1-2-3-4-5/h2H,1,3-4H2 | WKEVRZCQFQDCIR-UHFFFAOYSA-N | C4H7Cl | 90.55 | 90.023628 | 1.9 | 0 | 24 | 0 | 0 | 0 | 2 | 5 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SILANE, HEXYL- | 001072-14-6 | 6,328,653 | null | CCCCCC[Si] | InChI=1S/C6H13Si/c1-2-3-4-5-6-7/h2-6H2,1H3 | KRZXWIWNHRUKDF-UHFFFAOYSA-N | C6H13Si | 113.25 | 113.078652 | null | 0 | 27 | 0 | 0 | 0 | 4 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
SILANE, DIMETHYLDI-2-PROPENYL- | 001113-12-8 | 66,190 | dimethyl-bis(prop-2-enyl)silane | C[Si](C)(CC=C)CC=C | InChI=1S/C8H16Si/c1-5-7-9(3,4)8-6-2/h5-6H,1-2,7-8H2,3-4H3 | ZDSFBVVBFMKMRF-UHFFFAOYSA-N | C8H16Si | 140.3 | 140.102127 | null | 0 | 91 | 0 | 0 | 0 | 4 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
GERMANE, TRICHLORO- | 001184-65-2 | 6,328,654 | null | Cl[Ge](Cl)Cl | InChI=1S/Cl3Ge/c1-4(2)3 | YITSIQZHKDXQEI-UHFFFAOYSA-N | Cl3Ge | 179 | 178.827736 | null | 0 | 8 | 0 | 0 | 0 | 0 | 4 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TRISILOXANE, 1,1,3,3,5,5-HEXAMETHYL- | 001189-93-1 | 6,327,152 | null | C[Si](C)O[Si](C)(C)O[Si](C)C | InChI=1S/C6H18O2Si3/c1-9(2)7-11(5,6)8-10(3)4/h1-6H3 | YTEISYFNYGDBRV-UHFFFAOYSA-N | C6H18O2Si3 | 206.46 | 206.061459 | null | 18.5 | 102 | 0 | 0 | 2 | 4 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
DISILOXANE, ETHENYLPENTAMETHYL- | 001438-79-5 | 74,036 | ethenyl-dimethyl-trimethylsilyloxysilane | C[Si](C)(C)O[Si](C)(C)C=C | InChI=1S/C7H18OSi2/c1-7-10(5,6)8-9(2,3)4/h7H,1H2,2-6H3 | MRRXLWNSVYPSRB-UHFFFAOYSA-N | C7H18OSi2 | 174.39 | 174.089618 | null | 9.2 | 124 | 0 | 0 | 1 | 3 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-PROPENE, 3-PROPOXY- | 001471-03-0 | 15,119 | 1-prop-2-enoxypropane | CCCOCC=C | InChI=1S/C6H12O/c1-3-5-7-6-4-2/h3H,1,4-6H2,2H3 | LWJHSQQHGRQCKO-UHFFFAOYSA-N | C6H12O | 100.16 | 100.088815 | 1.6 | 9.2 | 41 | 0 | 0 | 1 | 4 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1,3-PENTADIENE, (Z)- | 001574-41-0 | 643,785 | (3Z)-penta-1,3-diene | C/C=C\C=C | InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4- | PMJHHCWVYXUKFD-PLNGDYQASA-N | C5H8 | 68.12 | 68.0626 | 2.4 | 0 | 42 | 0 | 0 | 0 | 1 | 5 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1-PENTEN-3-ONE | 001629-58-9 | 15,394 | pent-1-en-3-one | CCC(=O)C=C | InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3 | JLIDVCMBCGBIEY-UHFFFAOYSA-N | C5H8O | 84.12 | 84.057515 | 1 | 17.1 | 64 | 0 | 0 | 1 | 2 | 6 | null | 38.00 °C. @ 60.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-BUTANETHIOL, 2-METHYL- | 001679-09-0 | 15,511 | 2-methylbutane-2-thiol | CCC(C)(C)S | InChI=1S/C5H12S/c1-4-5(2,3)6/h6H,4H2,1-3H3 | IQIBYAHJXQVQGB-UHFFFAOYSA-N | C5H12S | 104.22 | 104.065972 | 2 | 1 | 39 | 0 | 1 | 1 | 1 | 6 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
2,2-PROPANEDIAMINE, 1,1,1,3,3,3-HEXAFLUORO- | 001737-80-0 | 74,441 | 1,1,1,3,3,3-hexafluoropropane-2,2-diamine | C(C(F)(F)F)(C(F)(F)F)(N)N | InChI=1S/C3H4F6N2/c4-2(5,6)1(10,11)3(7,8)9/h10-11H2 | NAIPMAOGJXOHIF-UHFFFAOYSA-N | C3H4F6N2 | 182.07 | 182.027867 | 0.6 | 52 | 127 | 0 | 2 | 8 | 0 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PROPANE, 2-ISOCYANATO- | 001795-48-8 | 61,277 | 2-isocyanatopropane | CC(C)N=C=O | InChI=1S/C4H7NO/c1-4(2)5-3-6/h4H,1-2H3 | GSLTVFIVJMCNBH-UHFFFAOYSA-N | C4H7NO | 85.1 | 85.052764 | 1.8 | 29.4 | 71 | 0 | 0 | 2 | 1 | 6 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 1 |
SILANE, CHLOROMETHOXYDIMETHYL- | 001825-68-9 | 74,579 | chloro-methoxy-dimethylsilane | CO[Si](C)(C)Cl | InChI=1S/C3H9ClOSi/c1-5-6(2,3)4/h1-3H3 | AWSNMQUTBVZKHY-UHFFFAOYSA-N | C3H9ClOSi | 124.64 | 124.011119 | null | 9.2 | 46 | 0 | 0 | 1 | 1 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TRISILOXANE, 1,1,1,3,5,5,5-HEPTAMETHYL- | 001873-88-7 | 6,327,366 | null | C[Si](O[Si](C)(C)C)O[Si](C)(C)C | InChI=1S/C7H21O2Si3/c1-10(8-11(2,3)4)9-12(5,6)7/h1-7H3 | SWGZAKPJNWCPRY-UHFFFAOYSA-N | C7H21O2Si3 | 221.5 | 221.084935 | null | 18.5 | 121 | 0 | 0 | 2 | 4 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
SILANE, DICHLOROMETHYL-2-PROPENYL- | 001873-92-3 | 74,641 | dichloro-methyl-prop-2-enylsilane | C[Si](CC=C)(Cl)Cl | InChI=1S/C4H8Cl2Si/c1-3-4-7(2,5)6/h3H,1,4H2,2H3 | YCEQUKAYVABWTE-UHFFFAOYSA-N | C4H8Cl2Si | 155.09 | 153.977232 | null | 0 | 70 | 0 | 0 | 0 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1-BUTANETHIOL, 2-METHYL- | 001878-18-8 | 15,877 | 2-methylbutane-1-thiol | CCC(C)CS | InChI=1S/C5H12S/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3 | WGQKBCSACFQGQY-UHFFFAOYSA-N | C5H12S | 104.22 | 104.065972 | 2.2 | 1 | 27 | 0 | 1 | 1 | 2 | 6 | null | 116.00 to 118.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-BUTANETHIOL, 3-METHYL- | 002084-18-6 | 519,823 | 3-methylbutane-2-thiol | CC(C)C(C)S | InChI=1S/C5H12S/c1-4(2)5(3)6/h4-6H,1-3H3 | BFLXFRNPNMTTAA-UHFFFAOYSA-N | C5H12S | 104.22 | 104.065972 | 2.3 | 1 | 32 | 0 | 1 | 1 | 1 | 6 | null | 117.00 to 118.00 °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 |
SILANE, METHYLENEBIS[TRIMETHYL- | 002117-28-4 | 75,029 | trimethyl(trimethylsilylmethyl)silane | C[Si](C)(C)C[Si](C)(C)C | InChI=1S/C7H20Si2/c1-8(2,3)7-9(4,5)6/h7H2,1-6H3 | GYIODRUWWNNGPI-UHFFFAOYSA-N | C7H20Si2 | 160.4 | 160.110354 | null | 0 | 72 | 0 | 0 | 0 | 2 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
CHLOROPROPYLMAGNESIUM | 002234-82-4 | 75,225 | magnesium;propane;chloride | CC[CH2-].[Mg+2].[Cl-] | InChI=1S/C3H7.ClH.Mg/c1-3-2;;/h1,3H2,2H3;1H;/q-1;;+2/p-1 | RYEXTBOQKFUPOE-UHFFFAOYSA-M | C3H7ClMg | 102.84 | 102.00867 | null | 0 | 6 | 0 | 0 | 2 | 0 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1-PROPEN-2-OL, 3,3,3-TRIFLUORO-, ACETATE | 002247-91-8 | 75,254 | 3,3,3-trifluoroprop-1-en-2-yl acetate | CC(=O)OC(=C)C(F)(F)F | InChI=1S/C5H5F3O2/c1-3(5(6,7)8)10-4(2)9/h1H2,2H3 | VOKGSDIHTCTXDS-UHFFFAOYSA-N | C5H5F3O2 | 154.09 | 154.024164 | 1.5 | 26.3 | 159 | 0 | 0 | 5 | 2 | 10 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
CHLOROETHYLMAGNESIUM | 002386-64-3 | 75,432 | magnesium;ethane;chloride | C[CH2-].[Mg+2].[Cl-] | InChI=1S/C2H5.ClH.Mg/c1-2;;/h1H2,2H3;1H;/q-1;;+2/p-1 | YCCXQARVHOPWFJ-UHFFFAOYSA-M | C2H5ClMg | 88.82 | 87.99302 | null | 0 | 6 | 0 | 0 | 2 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1,6-HEPTADIYNE | 002396-63-6 | 337,121 | hepta-1,6-diyne | C#CCCCC#C | InChI=1S/C7H8/c1-3-5-7-6-4-2/h1-2H,5-7H2 | RSPZSDWVQWRAEF-UHFFFAOYSA-N | C7H8 | 92.14 | 92.0626 | 1.9 | 0 | 97 | 0 | 0 | 0 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-PROPEN-1-AMINE, N-METHYL-N-2-PROPENYL- | 002424-01-3 | 75,501 | N-methyl-N-prop-2-enylprop-2-en-1-amine | CN(CC=C)CC=C | InChI=1S/C7H13N/c1-4-6-8(3)7-5-2/h4-5H,1-2,6-7H2,3H3 | WGESLFUSXZBFQF-UHFFFAOYSA-N | C7H13N | 111.18 | 111.104799 | 1.6 | 3.2 | 66 | 0 | 0 | 1 | 4 | 8 | null | null | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
MAGNESIUM, CHLORO-2-PROPENYL- | 002622-05-1 | 75,804 | magnesium;prop-1-ene;chloride | [CH2-]C=C.[Mg+2].[Cl-] | InChI=1S/C3H5.ClH.Mg/c1-3-2;;/h3H,1-2H2;1H;/q-1;;+2/p-1 | CYSFUFRXDOAOMP-UHFFFAOYSA-M | C3H5ClMg | 100.83 | 99.99302 | null | 0 | 14 | 0 | 0 | 2 | 0 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
3-BUTYN-2-AMINE, 2-METHYL- | 002978-58-7 | 76,319 | 2-methylbut-3-yn-2-amine | CC(C)(C#C)N | InChI=1S/C5H9N/c1-4-5(2,3)6/h1H,6H2,2-3H3 | VUGCBIWQHSRQBZ-UHFFFAOYSA-N | C5H9N | 83.13 | 83.073499 | 0 | 26 | 83 | 0 | 1 | 1 | 1 | 6 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 |
1,6-HEPTADIENE | 003070-53-9 | 16,968 | hepta-1,6-diene | C=CCCCC=C | InChI=1S/C7H12/c1-3-5-7-6-4-2/h3-4H,1-2,5-7H2 | GEAWFZNTIFJMHR-UHFFFAOYSA-N | C7H12 | 96.17 | 96.0939 | 3 | 0 | 45 | 0 | 0 | 0 | 4 | 7 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
3-HEXENE, 2,2-DIMETHYL- | 003123-93-1 | 5,357,261 | (E)-2,2-dimethylhex-3-ene | CC/C=C/C(C)(C)C | InChI=1S/C8H16/c1-5-6-7-8(2,3)4/h6-7H,5H2,1-4H3/b7-6+ | JPLZSSHKQZJYTJ-VOTSOKGWSA-N | C8H16 | 112.21 | 112.125201 | 3.4 | 0 | 72 | 0 | 0 | 0 | 2 | 8 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PROPANOIC ACID, 2,2-DIMETHYL-, ETHENYL ESTER | 003377-92-2 | 256,591 | ethenyl 2,2-dimethylpropanoate | CC(C)(C)C(=O)OC=C | InChI=1S/C7H12O2/c1-5-9-6(8)7(2,3)4/h5H,1H2,2-4H3 | YCUBDDIKWLELPD-UHFFFAOYSA-N | C7H12O2 | 128.17 | 128.08373 | 2 | 26.3 | 119 | 0 | 0 | 2 | 3 | 9 | null | null | 0 | 1 | 1 | 1 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-HEXENE, 3-METHYL- | 003404-61-3 | 18,848 | 3-methylhex-1-ene | CCCC(C)C=C | InChI=1S/C7H14/c1-4-6-7(3)5-2/h5,7H,2,4,6H2,1,3H3 | RITONZMLZWYPHW-UHFFFAOYSA-N | C7H14 | 98.19 | 98.10955 | 3.3 | 0 | 46 | 0 | 0 | 0 | 3 | 7 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
3-BUTENOIC ACID, METHYL ESTER | 003724-55-8 | 77,314 | methyl but-3-enoate | COC(=O)CC=C | InChI=1S/C5H8O2/c1-3-4-5(6)7-2/h3H,1,4H2,2H3 | GITITJADGZYSRL-UHFFFAOYSA-N | C5H8O2 | 100.12 | 100.05243 | 0.9 | 26.3 | 76 | 0 | 0 | 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 |
SILANE, TRIMETHYL(METHYLTHIO)- | 003908-55-2 | 77,513 | trimethyl(methylsulfanyl)silane | C[Si](C)(C)SC | InChI=1S/C4H12SSi/c1-5-6(2,3)4/h1-4H3 | JDYCDPFQWXHUDL-UHFFFAOYSA-N | C4H12SSi | 120.29 | 120.042898 | null | 25.3 | 37 | 0 | 0 | 1 | 1 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PROPANOIC ACID, 2,2-DIMETHYL-, ETHYL ESTER | 003938-95-2 | 19,838 | ethyl 2,2-dimethylpropanoate | CCOC(=O)C(C)(C)C | InChI=1S/C7H14O2/c1-5-9-6(8)7(2,3)4/h5H2,1-4H3 | HHEIMYAXCOIQCJ-UHFFFAOYSA-N | C7H14O2 | 130.18 | 130.09938 | 1.9 | 26.3 | 100 | 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 |
SILANE, [(1,1-DIMETHYLETHYL)DIOXY]TRIMETHYL- | 003965-63-7 | 77,585 | tert-butylperoxy(trimethyl)silane | CC(C)(C)OO[Si](C)(C)C | InChI=1S/C7H18O2Si/c1-7(2,3)8-9-10(4,5)6/h1-6H3 | XTXFUQOLBKQKJU-UHFFFAOYSA-N | C7H18O2Si | 162.3 | 162.107606 | null | 18.5 | 99 | 0 | 0 | 2 | 3 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PHOSPHINE, BIS(2-METHYLPROPYL)- | 004006-38-6 | 77,622 | bis(2-methylpropyl)phosphane | CC(C)CPCC(C)C | InChI=1S/C8H19P/c1-7(2)5-9-6-8(3)4/h7-9H,5-6H2,1-4H3 | LREAZWJEBORMTB-UHFFFAOYSA-N | C8H19P | 146.21 | 146.122438 | 2.6 | 0 | 49 | 0 | 0 | 0 | 4 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SILANE, CHLORODIMETHYL-2-PROPENYL- | 004028-23-3 | 77,646 | chloro-dimethyl-prop-2-enylsilane | C[Si](C)(CC=C)Cl | InChI=1S/C5H11ClSi/c1-4-5-7(2,3)6/h4H,1,5H2,2-3H3 | KMVZWUQHMJAWSY-UHFFFAOYSA-N | C5H11ClSi | 134.68 | 134.031855 | null | 0 | 68 | 0 | 0 | 0 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ETHENONE, (TRIMETHYLSILYL)- | 004071-85-6 | 77,686 | 2-trimethylsilylethenone | C[Si](C)(C)C=C=O | InChI=1S/C5H10OSi/c1-7(2,3)5-4-6/h5H,1-3H3 | GYUIBRZEAWWIHU-UHFFFAOYSA-N | C5H10OSi | 114.22 | 114.050092 | null | 17.1 | 95 | 0 | 0 | 1 | 1 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-PROPYN-1-AMINE, N,N-DIETHYL- | 004079-68-9 | 20,010 | N,N-diethylprop-2-yn-1-amine | CCN(CC)CC#C | InChI=1S/C7H13N/c1-4-7-8(5-2)6-3/h1H,5-7H2,2-3H3 | JZJXKEWVUBVOEH-UHFFFAOYSA-N | C7H13N | 111.18 | 111.104799 | 1.1 | 3.2 | 83 | 0 | 0 | 1 | 3 | 8 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-PROPENOIC ACID, 2-METHYL-, ETHENYL ESTER | 004245-37-8 | 77,921 | ethenyl 2-methylprop-2-enoate | CC(=C)C(=O)OC=C | InChI=1S/C6H8O2/c1-4-8-6(7)5(2)3/h4H,1-2H2,3H3 | FFYWKOUKJFCBAM-UHFFFAOYSA-N | C6H8O2 | 112.13 | 112.05243 | 1.6 | 26.3 | 124 | 0 | 0 | 2 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SILANE, DICHLOROETHYLMETHYL- | 004525-44-4 | 78,286 | dichloro-ethyl-methylsilane | CC[Si](C)(Cl)Cl | InChI=1S/C3H8Cl2Si/c1-3-6(2,4)5/h3H2,1-2H3 | PNECSTWRDNQOLT-UHFFFAOYSA-N | C3H8Cl2Si | 143.08 | 141.977232 | null | 0 | 44 | 0 | 0 | 0 | 1 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PENTANE, 3-(CHLOROMETHYL)- | 004737-41-1 | 107,585 | 3-(chloromethyl)pentane | CCC(CC)CCl | InChI=1S/C6H13Cl/c1-3-6(4-2)5-7/h6H,3-5H2,1-2H3 | PQHNRODYYLFLRE-UHFFFAOYSA-N | C6H13Cl | 120.62 | 120.070578 | 2.9 | 0 | 31 | 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 |
PROPANE, 1,1-DIETHOXY- | 004744-08-5 | 20,858 | 1,1-diethoxypropane | CCC(OCC)OCC | InChI=1S/C7H16O2/c1-4-7(8-5-2)9-6-3/h7H,4-6H2,1-3H3 | MBNMGGKBGCIEGF-UHFFFAOYSA-N | C7H16O2 | 132.2 | 132.11503 | 1.7 | 18.5 | 48 | 0 | 0 | 2 | 5 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
HEXANE, 1-METHOXY- | 004747-07-3 | 78,484 | 1-methoxyhexane | CCCCCCOC | InChI=1S/C7H16O/c1-3-4-5-6-7-8-2/h3-7H2,1-2H3 | ICBJCVRQDSQPGI-UHFFFAOYSA-N | C7H16O | 116.2 | 116.120115 | 2.4 | 9.2 | 35 | 0 | 0 | 1 | 5 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-BUTENE, 1-BROMO- | 004784-77-4 | 122,414 | 1-bromobut-2-ene | CC=CCBr | InChI=1S/C4H7Br/c1-2-3-4-5/h2-3H,4H2,1H3 | AVMHMVJVHYGDOO-UHFFFAOYSA-N | C4H7Br | 135 | 133.97311 | 1.9 | 0 | 30 | 0 | 0 | 0 | 1 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-BUTENE, 1-CHLORO-, (E)- | 004894-61-5 | 637,923 | (E)-1-chlorobut-2-ene | C/C=C/CCl | InChI=1S/C4H7Cl/c1-2-3-4-5/h2-3H,4H2,1H3/b3-2+ | YTKRILODNOEEPX-NSCUHMNNSA-N | C4H7Cl | 90.55 | 90.023628 | 1.7 | 0 | 30 | 0 | 0 | 0 | 1 | 5 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
1-HEPTENE, 6-METHYL- | 005026-76-6 | 21,122 | 6-methylhept-1-ene | CC(C)CCCC=C | InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h4,8H,1,5-7H2,2-3H3 | DFVOXRAAHOJJBN-UHFFFAOYSA-N | C8H16 | 112.21 | 112.125201 | 3.7 | 0 | 53 | 0 | 0 | 0 | 4 | 8 | less than 20 °F (NFPA, 2010) | null | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SILANE, ETHENYLETHOXYDIMETHYL- | 005356-83-2 | 79,315 | ethenyl-ethoxy-dimethylsilane | CCO[Si](C)(C)C=C | InChI=1S/C6H14OSi/c1-5-7-8(3,4)6-2/h6H,2,5H2,1,3-4H3 | JEWCZPTVOYXPGG-UHFFFAOYSA-N | C6H14OSi | 130.26 | 130.081392 | null | 9.2 | 78 | 0 | 0 | 1 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
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