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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,2,2-TRIFLUOROETHANETHIOL | 001544-53-2 | 4,133,924 | 2,2,2-trifluoroethanethiol | C(C(F)(F)F)S | InChI=1S/C2H3F3S/c3-2(4,5)1-6/h6H,1H2 | RYRLLAOLJVDVNN-UHFFFAOYSA-N | C2H3F3S | 116.11 | 115.990756 | 1.6 | 1 | 38 | 0 | 1 | 4 | 0 | 6 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-PROPENE, 2-METHOXY- | 000116-11-0 | 8,300 | 2-methoxyprop-1-ene | CC(=C)OC | InChI=1S/C4H8O/c1-4(2)5-3/h1H2,2-3H3 | YOWQWFMSQCOSBA-UHFFFAOYSA-N | C4H8O | 72.11 | 72.057515 | 1.2 | 9.2 | 38 | 0 | 0 | 1 | 1 | 5 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
SILANE, FLUOROTRIMETHYL- | 000420-56-4 | 9,869 | fluoro(trimethyl)silane | C[Si](C)(C)F | InChI=1S/C3H9FSi/c1-5(2,3)4/h1-3H3 | CTIKAHQFRQTTAY-UHFFFAOYSA-N | C3H9FSi | 92.19 | 92.045755 | null | 0 | 28 | 0 | 0 | 1 | 0 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-BUTYNE | 000503-17-3 | 10,419 | but-2-yne | CC#CC | InChI=1S/C4H6/c1-3-4-2/h1-2H3 | XNMQEEKYCVKGBD-UHFFFAOYSA-N | C4H6 | 54.09 | 54.04695 | 1.5 | 0 | 42 | 0 | 0 | 0 | 0 | 4 | -4 °F (NFPA, 2010) | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-PROPANAMINE, N,2-DIMETHYL- | 000625-43-4 | 12,249 | N,2-dimethylpropan-1-amine | CC(C)CNC | InChI=1S/C5H13N/c1-5(2)4-6-3/h5-6H,4H2,1-3H3 | QKYWADPCTHTJHQ-UHFFFAOYSA-N | C5H13N | 87.16 | 87.104799 | 1.1 | 12 | 25 | 0 | 1 | 1 | 2 | 6 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PEROXIDE, (1-METHYLPROPYLIDENE)BIS[(1,1-DIMETHYLETHYL) | 002167-23-9 | 221,260 | 2,2-bis(tert-butylperoxy)butane | CCC(C)(OOC(C)(C)C)OOC(C)(C)C | InChI=1S/C12H26O4/c1-9-12(8,15-13-10(2,3)4)16-14-11(5,6)7/h9H2,1-8H3 | HQOVXPHOJANJBR-UHFFFAOYSA-N | C12H26O4 | 234.33 | 234.183109 | 3.2 | 36.9 | 182 | 0 | 0 | 4 | 7 | 16 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 1 |
BUTANE, 1-FLUORO- | 002366-52-1 | 16,908 | 1-fluorobutane | CCCCF | InChI=1S/C4H9F/c1-2-3-4-5/h2-4H2,1H3 | FCBJLBCGHCTPAQ-UHFFFAOYSA-N | C4H9F | 76.11 | 76.068828 | 2.6 | 0 | 13 | 0 | 0 | 1 | 2 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
BUTANE, 2-ETHOXY- | 002679-87-0 | 17,586 | 2-ethoxybutane | CCC(C)OCC | InChI=1S/C6H14O/c1-4-6(3)7-5-2/h6H,4-5H2,1-3H3 | VSCUCHUDCLERMY-UHFFFAOYSA-N | C6H14O | 102.17 | 102.104465 | 1.8 | 9.2 | 35 | 0 | 0 | 1 | 3 | 7 | null | 81.00 °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-BUTENE, 2-BROMO- | 023074-36-4 | 89,990 | 2-bromobut-1-ene | CCC(=C)Br | InChI=1S/C4H7Br/c1-3-4(2)5/h2-3H2,1H3 | HQMXRIGBXOFKIU-UHFFFAOYSA-N | C4H7Br | 135 | 133.97311 | 2.4 | 0 | 38 | 0 | 0 | 0 | 1 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-METHOXY-1,1,1-TRIFLUOROETHANE | 000460-43-5 | 136,304 | 1,1,1-trifluoro-2-methoxyethane | COCC(F)(F)F | InChI=1S/C3H5F3O/c1-7-2-3(4,5)6/h2H2,1H3 | OHLVGBXMHDWRRX-UHFFFAOYSA-N | C3H5F3O | 114.07 | 114.029249 | 1.2 | 9.2 | 48 | 0 | 0 | 4 | 1 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
4-METHYL-1-PENTENE | 000691-37-2 | 12,724 | 4-methylpent-1-ene | CC(C)CC=C | InChI=1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3 | WSSSPWUEQFSQQG-UHFFFAOYSA-N | C6H12 | 84.16 | 84.0939 | 2.7 | 0 | 35 | 0 | 0 | 0 | 2 | 6 | -25 °F (USCG, 1999) | 127.4 to 129.2 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-METHYL-2-BUTENE | 000513-35-9 | 10,553 | 2-methylbut-2-ene | CC=C(C)C | InChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3 | BKOOMYPCSUNDGP-UHFFFAOYSA-N | C5H10 | 70.13 | 70.07825 | 2.3 | 0 | 38 | 0 | 0 | 0 | 0 | 5 | less than 20 °F (NFPA, 2010) | 37.5-38.5 °C | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
N-BUTYL ISOCYANATE | 000111-36-4 | 8,110 | 1-isocyanatobutane | CCCCN=C=O | InChI=1S/C5H9NO/c1-2-3-4-6-5-7/h2-4H2,1H3 | HNHVTXYLRVGMHD-UHFFFAOYSA-N | C5H9NO | 99.13 | 99.068414 | 2.3 | 29.4 | 74 | 0 | 0 | 2 | 3 | 7 | 66 °F (NFPA, 2010) | 115 °C | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 1 |
HYDROGEN CYANIDE | 000074-90-8 | 768 | formonitrile | C#N | InChI=1S/CHN/c1-2/h1H | LELOWRISYMNNSU-UHFFFAOYSA-N | CHN | 27.025 | 27.010899 | 0.1 | 23.8 | 10 | 0 | 0 | 1 | 0 | 2 | 0 °F (96%) (NIOSH, 2024) | 78 °F at 760 mmHg (96%) (NIOSH, 2024) | 1 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ISOPRENE | 000078-79-5 | 6,557 | 2-methylbuta-1,3-diene | CC(=C)C=C | InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3 | RRHGJUQNOFWUDK-UHFFFAOYSA-N | C5H8 | 68.12 | 68.0626 | 2.5 | 0 | 51 | 0 | 0 | 0 | 1 | 5 | -65 °F (NTP, 1992) | 93 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ACETALDEHYDE | 000075-07-0 | 177 | acetaldehyde | CC=O | InChI=1S/C2H4O/c1-2-3/h2H,1H3 | IKHGUXGNUITLKF-UHFFFAOYSA-N | C2H4O | 44.05 | 44.026215 | -0.3 | 17.1 | 10 | 0 | 0 | 1 | 0 | 3 | -40 °F (NTP, 1992) | 70 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
TERT-BUTYL ETHYL ETHER | 000637-92-3 | 12,512 | 2-ethoxy-2-methylpropane | CCOC(C)(C)C | InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3 | NUMQCACRALPSHD-UHFFFAOYSA-N | C6H14O | 102.17 | 102.104465 | 1.4 | 9.2 | 42 | 0 | 0 | 1 | 2 | 7 | -3 °F (NTP, 1992) | 163.6 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ETHYL BROMIDE | 000074-96-4 | 6,332 | bromoethane | CCBr | InChI=1S/C2H5Br/c1-2-3/h2H2,1H3 | RDHPKYGYEGBMSE-UHFFFAOYSA-N | C2H5Br | 108.97 | 107.95746 | 1.4 | 0 | 2 | 0 | 0 | 0 | 0 | 3 | -10 °F (NTP, 1992) | 101.1 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 1 | 1 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1,1-DICHLOROETHANE | 000075-34-3 | 6,365 | 1,1-dichloroethane | CC(Cl)Cl | InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3 | SCYULBFZEHDVBN-UHFFFAOYSA-N | C2H4Cl2 | 98.96 | 97.969006 | 1.9 | 0 | 11 | 0 | 0 | 0 | 0 | 4 | 22 °F (NTP, 1992) | 135.1 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
METHYL ETHYL KETONE | 000078-93-3 | 6,569 | butan-2-one | CCC(=O)C | InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3 | ZWEHNKRNPOVVGH-UHFFFAOYSA-N | C4H8O | 72.11 | 72.057515 | 0.3 | 17.1 | 38 | 0 | 0 | 1 | 1 | 5 | 26 °F (NTP, 1992) | 175.3 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
ALLYL BROMIDE | 000106-95-6 | 7,841 | 3-bromoprop-1-ene | C=CCBr | InChI=1S/C3H5Br/c1-2-3-4/h2H,1,3H2 | BHELZAPQIKSEDF-UHFFFAOYSA-N | C3H5Br | 120.98 | 119.95746 | 1.8 | 0 | 17 | 0 | 0 | 0 | 1 | 4 | 28 °F (USCG, 1999) | 158 °F at 760 mmHg (USCG, 1999) | 1 | 1 | 1 | 1 | 0 | 1 | 0 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
N-PROPYLAMINE | 000107-10-8 | 7,852 | propan-1-amine | CCCN | InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3 | WGYKZJWCGVVSQN-UHFFFAOYSA-N | C3H9N | 59.11 | 59.073499 | 0.5 | 26 | 7 | 0 | 1 | 1 | 1 | 4 | -35 °F (USCG, 1999) | 119.5 °F at 760 mmHg (USCG, 1999) | 0 | 1 | 1 | 1 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
BUTYRONITRILE | 000109-74-0 | 8,008 | butanenitrile | CCCC#N | InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3 | KVNRLNFWIYMESJ-UHFFFAOYSA-N | C4H7N | 69.11 | 69.057849 | 0.5 | 23.8 | 47 | 0 | 0 | 1 | 1 | 5 | 62 °F (USCG, 1999) | 244 °F at 760 mmHg (USCG, 1999) | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
DIETHYLAMINE | 000109-89-7 | 8,021 | N-ethylethanamine | CCNCC | InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3 | HPNMFZURTQLUMO-UHFFFAOYSA-N | C4H11N | 73.14 | 73.089149 | 0.6 | 12 | 11 | 0 | 1 | 1 | 2 | 5 | -20 °F (NTP, 1992) | 131.9 °F at 760 mmHg (NTP, 1992) | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TRIETHYLAMINE | 000121-44-8 | 8,471 | N,N-diethylethanamine | CCN(CC)CC | InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3 | ZMANZCXQSJIPKH-UHFFFAOYSA-N | C6H15N | 101.19 | 101.12045 | 1.4 | 3.2 | 25 | 0 | 0 | 1 | 3 | 7 | 20 °F (NTP, 1992) | 192.7 °F at 760 mmHg (NTP, 1992) | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ACETONE | 000067-64-1 | 180 | propan-2-one | CC(=O)C | InChI=1S/C3H6O/c1-3(2)4/h1-2H3 | CSCPPACGZOOCGX-UHFFFAOYSA-N | C3H6O | 58.08 | 58.041865 | -0.1 | 17.1 | 26 | 0 | 0 | 1 | 0 | 4 | 0 °F (NTP, 1992) | 133 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
N-PROPYL ALCOHOL | 000071-23-8 | 1,031 | propan-1-ol | CCCO | InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3 | BDERNNFJNOPAEC-UHFFFAOYSA-N | C3H8O | 60.1 | 60.057515 | 0.3 | 20.2 | 7 | 0 | 1 | 1 | 1 | 4 | 77 °F (USCG, 1999) | 207 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
ISOBUTYL ACETATE | 000110-19-0 | 8,038 | 2-methylpropyl acetate | CC(C)COC(=O)C | InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3 | GJRQTCIYDGXPES-UHFFFAOYSA-N | C6H12O2 | 116.16 | 116.08373 | 1.8 | 26.3 | 76 | 0 | 0 | 2 | 3 | 8 | 62 °F (USCG, 1999) | 243.1 °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 |
ISOBUTYL CHLORIDE | 000513-36-0 | 10,554 | 1-chloro-2-methylpropane | CC(C)CCl | InChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3 | QTBFPMKWQKYFLR-UHFFFAOYSA-N | C4H9Cl | 92.57 | 92.039278 | 2.1 | 0 | 17 | 0 | 0 | 0 | 1 | 5 | -10 °C | 69 °C | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
N-BUTYL NITRITE | 000544-16-1 | 10,996 | butyl nitrite | CCCCON=O | InChI=1S/C4H9NO2/c1-2-3-4-7-5-6/h2-4H2,1H3 | JQJPBYFTQAANLE-UHFFFAOYSA-N | C4H9NO2 | 103.12 | 103.063329 | 1.3 | 38.7 | 47 | 0 | 0 | 3 | 3 | 7 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2,3-BUTANEDIONE | 000431-03-8 | 650 | butane-2,3-dione | CC(=O)C(=O)C | InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3 | QSJXEFYPDANLFS-UHFFFAOYSA-N | C4H6O2 | 86.09 | 86.036779 | -1.3 | 34.1 | 71 | 0 | 0 | 2 | 1 | 6 | 80 °F (NTP, 1992) | 190 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 |
DIISOPROPYLAMINE | 000108-18-9 | 7,912 | N-propan-2-ylpropan-2-amine | CC(C)NC(C)C | InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3 | UAOMVDZJSHZZME-UHFFFAOYSA-N | C6H15N | 101.19 | 101.12045 | 1.4 | 12 | 33 | 0 | 1 | 1 | 2 | 7 | 30 °F (NTP, 1992) | 183 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PROPYL ETHER | 000111-43-3 | 8,114 | 1-propoxypropane | CCCOCCC | InChI=1S/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3 | POLCUAVZOMRGSN-UHFFFAOYSA-N | C6H14O | 102.17 | 102.104465 | 2 | 9.2 | 23 | 0 | 0 | 1 | 4 | 7 | 70 °F (NFPA, 2010) | 89-91 °C | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
N-HEPTANE | 000142-82-5 | 8,900 | heptane | CCCCCCC | InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3 | IMNFDUFMRHMDMM-UHFFFAOYSA-N | C7H16 | 100.2 | 100.125201 | 4.4 | 0 | 19 | 0 | 0 | 0 | 4 | 7 | 25 °F (USCG, 1999) | 209.1 °F at 760 mmHg (USCG, 1999) | 1 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
METHYL N-BUTYRATE | 000623-42-7 | 12,180 | methyl butanoate | CCCC(=O)OC | InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3 | UUIQMZJEGPQKFD-UHFFFAOYSA-N | C5H10O2 | 102.13 | 102.06808 | 1.3 | 26.3 | 59 | 0 | 0 | 2 | 3 | 7 | 57 °F (NTP, 1992) | 216 °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 |
ISOPROPYL ACETATE | 000108-21-4 | 7,915 | propan-2-yl acetate | CC(C)OC(=O)C | InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3 | JMMWKPVZQRWMSS-UHFFFAOYSA-N | C5H10O2 | 102.13 | 102.06808 | 0.9 | 26.3 | 66 | 0 | 0 | 2 | 2 | 7 | 36 °F (NTP, 1992) | 190 to 196 °F at 743.3 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
1,2-DICHLOROETHYLENE | 000540-59-0 | 10,900 | 1,2-dichloroethene | C(=CCl)Cl | InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H | KFUSEUYYWQURPO-UHFFFAOYSA-N | C2H2Cl2 | 96.94 | 95.953356 | 1.9 | 0 | 19 | 0 | 0 | 0 | 0 | 4 | 39 °F (NTP, 1992) | 118 to 140 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ACROLEIN | 000107-02-8 | 7,847 | prop-2-enal | C=CC=O | InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2 | HGINCPLSRVDWNT-UHFFFAOYSA-N | C3H4O | 56.06 | 56.026215 | 0 | 17.1 | 30 | 0 | 0 | 1 | 1 | 4 | -15 °F (EPA, 1998) | 126 °F at 760 mmHg (EPA, 1998) | 1 | 1 | 1 | 1 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
BIS-CHLOROMETHYL ETHER | 000542-88-1 | 10,967 | chloro(chloromethoxy)methane | C(OCCl)Cl | InChI=1S/C2H4Cl2O/c3-1-5-2-4/h1-2H2 | HRQGCQVOJVTVLU-UHFFFAOYSA-N | C2H4Cl2O | 114.96 | 113.96392 | 1.5 | 9.2 | 15 | 0 | 0 | 1 | 2 | 5 | Less than 66.2F (EPA, 1998) | 223 °F at 760 mmHg (EPA, 1998) | 0 | 1 | 1 | 1 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
SEC-BUTYL ACETATE | 000105-46-4 | 7,758 | butan-2-yl acetate | CCC(C)OC(=O)C | InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3 | DCKVNWZUADLDEH-UHFFFAOYSA-N | C6H12O2 | 116.16 | 116.08373 | 1.7 | 26.3 | 78 | 0 | 0 | 2 | 3 | 8 | 62 °F (USCG, 1999) | 234 °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 |
TERT-BUTYL ACETATE | 000540-88-5 | 10,908 | tert-butyl acetate | CC(=O)OC(C)(C)C | InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3 | WMOVHXAZOJBABW-UHFFFAOYSA-N | C6H12O2 | 116.16 | 116.08373 | 1.8 | 26.3 | 89 | 0 | 0 | 2 | 2 | 8 | 72 °F (NIOSH, 2024) | 208 °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 |
CHLOROMETHYL ETHYL ETHER | 003188-13-4 | 18,523 | chloromethoxyethane | CCOCCl | InChI=1S/C3H7ClO/c1-2-5-3-4/h2-3H2,1H3 | FCYRSDMGOLYDHL-UHFFFAOYSA-N | C3H7ClO | 94.54 | 94.018543 | 1.1 | 9.2 | 16 | 0 | 0 | 1 | 2 | 5 | null | 83 °C | 0 | 1 | 1 | 1 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
METHYL ISOCYANATE | 000624-83-9 | 12,228 | methylimino(oxo)methane | CN=C=O | InChI=1S/C2H3NO/c1-3-2-4/h1H3 | HAMGRBXTJNITHG-UHFFFAOYSA-N | C2H3NO | 57.05 | 57.021464 | 1.1 | 29.4 | 44 | 0 | 0 | 2 | 0 | 4 | 19 °F (EPA, 1998) | 102 °F at 760 mmHg (EPA, 1998) | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 | 1 | 0 | 1 |
METHYL METHACRYLATE | 000080-62-6 | 6,658 | methyl 2-methylprop-2-enoate | CC(=C)C(=O)OC | InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3 | VVQNEPGJFQJSBK-UHFFFAOYSA-N | C5H8O2 | 100.12 | 100.05243 | 1.4 | 26.3 | 94 | 0 | 0 | 2 | 2 | 7 | 50 °F (NTP, 1992) | 213.8 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
NICKEL CARBONYL | 013463-39-3 | 26,039 | carbon monoxide;nickel | [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ni] | InChI=1S/4CO.Ni/c4*1-2; | AWDHUGLHGCVIEG-UHFFFAOYSA-N | C4NiO4 | 170.73 | 169.915 | null | 4 | 10 | 0 | 0 | 4 | 0 | 9 | Less than -18C (EPA, 1998) | 109 °F at 760 mmHg (EPA, 1998) | 1 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 |
N-PROPYL NITRATE | 000627-13-4 | 12,307 | propyl nitrate | CCCO[N+](=O)[O-] | InChI=1S/C3H7NO3/c1-2-3-7-4(5)6/h2-3H2,1H3 | JNTOKFNBDFMTIV-UHFFFAOYSA-N | C3H7NO3 | 105.09 | 105.042593 | 1.4 | 55.1 | 57 | 0 | 0 | 3 | 2 | 7 | 68 °F (USCG, 1999) | 231 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 |
TRANS-1,2-DICHLOROETHYLENE | 000156-60-5 | 638,186 | (E)-1,2-dichloroethene | C(=C/Cl)\Cl | InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+ | KFUSEUYYWQURPO-OWOJBTEDSA-N | C2H2Cl2 | 96.94 | 95.953356 | 1.9 | 0 | 19 | 0 | 0 | 0 | 0 | 4 | 43 °F (NTP, 1992) | 117 °F at 745 mmHg (NTP, 1992) | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1-BROMO-3-METHYLBUTANE | 000107-82-4 | 7,891 | 1-bromo-3-methylbutane | CC(C)CCBr | InChI=1S/C5H11Br/c1-5(2)3-4-6/h5H,3-4H2,1-2H3 | YXZFFTJAHVMMLF-UHFFFAOYSA-N | C5H11Br | 151.04 | 150.00441 | 2.7 | 0 | 25 | 0 | 0 | 0 | 2 | 6 | -6 °C | 120-121 °C | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2,3-DIMETHYLBUTANE | 000079-29-8 | 6,589 | 2,3-dimethylbutane | CC(C)C(C)C | InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3 | ZFFMLCVRJBZUDZ-UHFFFAOYSA-N | C6H14 | 86.18 | 86.10955 | 3.4 | 0 | 21 | 0 | 0 | 0 | 1 | 6 | -20 °F (NTP, 1992) | 136.4 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2,3-PENTANEDIONE | 000600-14-6 | 11,747 | pentane-2,3-dione | CCC(=O)C(=O)C | InChI=1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3 | TZMFJUDUGYTVRY-UHFFFAOYSA-N | C5H8O2 | 100.12 | 100.05243 | 0.1 | 34.1 | 94 | 0 | 0 | 2 | 2 | 7 | 19 °C (66 °F) - open cup | 109.9 °C | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 |
SEC-BUTYL BROMIDE | 000078-76-2 | 6,554 | 2-bromobutane | CCC(C)Br | InChI=1S/C4H9Br/c1-3-4(2)5/h4H,3H2,1-2H3 | UPSXAPQYNGXVBF-UHFFFAOYSA-N | C4H9Br | 137.02 | 135.98876 | 2.3 | 0 | 19 | 0 | 0 | 0 | 1 | 5 | 70 °F (USCG, 1999) | 196.5 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-BROMOPROPANE | 000075-26-3 | 6,358 | 2-bromopropane | CC(C)Br | InChI=1S/C3H7Br/c1-3(2)4/h3H,1-2H3 | NAMYKGVDVNBCFQ-UHFFFAOYSA-N | C3H7Br | 122.99 | 121.97311 | 1.8 | 0 | 10 | 0 | 0 | 0 | 0 | 4 | 71.6 °F | 59-60 °C | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 |
3-METHYLPENTANE | 000096-14-0 | 7,282 | 3-methylpentane | CCC(C)CC | InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3 | PFEOZHBOMNWTJB-UHFFFAOYSA-N | C6H14 | 86.18 | 86.10955 | 3.2 | 0 | 19 | 0 | 0 | 0 | 2 | 6 | -6.6 °C | 63.271 °C | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
DIPROPYLAMINE | 000142-84-7 | 8,902 | N-propylpropan-1-amine | CCCNCCC | InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3 | WEHWNAOGRSTTBQ-UHFFFAOYSA-N | C6H15N | 101.19 | 101.12045 | 1.7 | 12 | 23 | 0 | 1 | 1 | 4 | 7 | 45 °F (USCG, 1999) | 228.9 °F at 760 mmHg (NTP, 1992) | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
DIMETHYLDICHLOROSILANE | 000075-78-5 | 6,398 | dichloro(dimethyl)silane | C[Si](C)(Cl)Cl | InChI=1S/C2H6Cl2Si/c1-5(2,3)4/h1-2H3 | LIKFHECYJZWXFJ-UHFFFAOYSA-N | C2H6Cl2Si | 129.06 | 127.961582 | null | 0 | 30 | 0 | 0 | 0 | 0 | 5 | 16 °F (EPA, 1998) | 158 °F at 760 mmHg (EPA, 1998) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ETHYL CHLOROFORMATE | 000541-41-3 | 10,928 | ethyl carbonochloridate | CCOC(=O)Cl | InChI=1S/C3H5ClO2/c1-2-6-3(4)5/h2H2,1H3 | RIFGWPKJUGCATF-UHFFFAOYSA-N | C3H5ClO2 | 108.52 | 107.997807 | 1.5 | 26.3 | 52 | 0 | 0 | 2 | 2 | 6 | 61 °F (USCG, 1999) | 201 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ETHYL PROPIONATE | 000105-37-3 | 7,749 | ethyl propanoate | CCC(=O)OCC | InChI=1S/C5H10O2/c1-3-5(6)7-4-2/h3-4H2,1-2H3 | FKRCODPIKNYEAC-UHFFFAOYSA-N | C5H10O2 | 102.13 | 102.06808 | 1.2 | 26.3 | 59 | 0 | 0 | 2 | 3 | 7 | 54 °F (USCG, 1999) | 210 °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-METHYLPROPANENITRILE | 000078-82-0 | 6,559 | 2-methylpropanenitrile | CC(C)C#N | InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3 | LRDFRRGEGBBSRN-UHFFFAOYSA-N | C4H7N | 69.11 | 69.057849 | 0.5 | 23.8 | 55 | 0 | 0 | 1 | 0 | 5 | 47 °F (EPA, 1998) | 219 °F at 760 mmHg (EPA, 1998) | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TRANS-2-OCTENE | 013389-42-9 | 5,364,448 | (E)-oct-2-ene | CCCCC/C=C/C | InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3+ | ILPBINAXDRFYPL-HWKANZROSA-N | C8H16 | 112.21 | 112.125201 | 3.7 | 0 | 53 | 0 | 0 | 0 | 4 | 8 | null | null | 1 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PROPYL FORMATE | 000110-74-7 | 8,073 | propyl formate | CCCOC=O | InChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3 | KFNNIILCVOLYIR-UHFFFAOYSA-N | C4H8O2 | 88.11 | 88.052429 | 0.8 | 26.3 | 34 | 0 | 0 | 2 | 3 | 6 | 27 °F (NFPA, 2010) | 80.00 to 82.00 °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 |
TERT-BUTYL HYPOCHLORITE | 000507-40-4 | 521,297 | tert-butyl hypochlorite | CC(C)(C)OCl | InChI=1S/C4H9ClO/c1-4(2,3)6-5/h1-3H3 | IXZDIALLLMRYOU-UHFFFAOYSA-N | C4H9ClO | 108.57 | 108.034193 | 1.8 | 9.2 | 37 | 0 | 0 | 1 | 0 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 |
1,3-DICHLOROPROPANE | 000142-28-9 | 8,881 | 1,3-dichloropropane | C(CCl)CCl | InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2 | YHRUOJUYPBUZOS-UHFFFAOYSA-N | C3H6Cl2 | 112.98 | 111.984656 | 2 | 0 | 12 | 0 | 0 | 0 | 2 | 5 | 70 °F (est.) (USCG, 1999) | 248.7 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
1-HEXANETHIOL | 000111-31-9 | 8,106 | hexane-1-thiol | CCCCCCS | InChI=1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3 | PMBXCGGQNSVESQ-UHFFFAOYSA-N | C6H14S | 118.24 | 118.081622 | 3.3 | 1 | 27 | 0 | 1 | 1 | 4 | 7 | 68 °F (NIOSH, 2024) | 304 °F at 760 mmHg (NIOSH, 2024) | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TRIMETHYL ORTHOACETATE | 001445-45-0 | 15,050 | 1,1,1-trimethoxyethane | CC(OC)(OC)OC | InChI=1S/C5H12O3/c1-5(6-2,7-3)8-4/h1-4H3 | HDPNBNXLBDFELL-UHFFFAOYSA-N | C5H12O3 | 120.15 | 120.078644 | 0.2 | 27.7 | 50 | 0 | 0 | 3 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
N,N,N',N'-TETRAMETHYLETHYLENEDIAMINE | 000110-18-9 | 8,037 | N,N,N',N'-tetramethylethane-1,2-diamine | CN(C)CCN(C)C | InChI=1S/C6H16N2/c1-7(2)5-6-8(3)4/h5-6H2,1-4H3 | KWYHDKDOAIKMQN-UHFFFAOYSA-N | C6H16N2 | 116.2 | 116.131349 | 0.3 | 6.5 | 42 | 0 | 0 | 2 | 3 | 8 | 50 °F (NTP, 1992) | 250 to 252 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
CHOLINE | 000062-49-7 | 305 | 2-hydroxyethyl(trimethyl)azanium | C[N+](C)(C)CCO | InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 | OEYIOHPDSNJKLS-UHFFFAOYSA-N | C5H14NO+ | 104.17 | 104.107539 | -0.4 | 20.2 | 46 | 1 | 1 | 1 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 1 |
BORANE-METHYL SULFIDE COMPLEX | 013292-87-0 | 9,833,925 | null | [B].CSC | InChI=1S/C2H6S.B/c1-3-2;/h1-2H3; | MCQRPQCQMGVWIQ-UHFFFAOYSA-N | C2H6BS | 72.95 | 73.028327 | null | 25.3 | 2 | 0 | 0 | 1 | 0 | 4 | null | null | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 1 |
TRIMETHYLSILYL CYANIDE | 007677-24-9 | 82,115 | trimethylsilylformonitrile | C[Si](C)(C)C#N | InChI=1S/C4H9NSi/c1-6(2,3)4-5/h1-3H3 | LEIMLDGFXIOXMT-UHFFFAOYSA-N | C4H9NSi | 99.21 | 99.050426 | null | 23.8 | 81 | 0 | 0 | 1 | 0 | 6 | null | null | 1 | 1 | 1 | 1 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
3-METHYL-2-PENTENE | 000922-61-2 | 12,014 | 3-methylpent-2-ene | CCC(=CC)C | InChI=1S/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3 | BEQGRRJLJLVQAQ-UHFFFAOYSA-N | C6H12 | 84.16 | 84.0939 | 2.7 | 0 | 51 | 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 |
DIMETHYL SULFIDE | 000075-18-3 | 1,068 | methylsulfanylmethane | CSC | InChI=1S/C2H6S/c1-3-2/h1-2H3 | QMMFVYPAHWMCMS-UHFFFAOYSA-N | C2H6S | 62.14 | 62.019021 | 0.9 | 25.3 | 2 | 0 | 0 | 1 | 0 | 3 | -36 °F (USCG, 1999) | 99 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2,4-DIMETHYLPENTANE | 000108-08-7 | 7,907 | 2,4-dimethylpentane | CC(C)CC(C)C | InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3 | BZHMBWZPUJHVEE-UHFFFAOYSA-N | C7H16 | 100.2 | 100.125201 | 3.4 | 0 | 29 | 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 |
NEOHEXENE | 000558-37-2 | 11,210 | 3,3-dimethylbut-1-ene | CC(C)(C)C=C | InChI=1S/C6H12/c1-5-6(2,3)4/h5H,1H2,2-4H3 | PKXHXOTZMFCXSH-UHFFFAOYSA-N | C6H12 | 84.16 | 84.0939 | 2.7 | 0 | 45 | 0 | 0 | 0 | 1 | 6 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-HEPTENE | 000592-76-7 | 11,610 | hept-1-ene | CCCCCC=C | InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3 | ZGEGCLOFRBLKSE-UHFFFAOYSA-N | C7H14 | 98.19 | 98.10955 | 4 | 0 | 37 | 0 | 0 | 0 | 4 | 7 | 25 °F (USCG, 1999) | 200.5 °F at 760 mmHg (USCG, 1999) | 1 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
DIETHYL CHLOROPHOSPHITE | 000589-57-1 | 68,530 | chloro(diethoxy)phosphane | CCOP(OCC)Cl | InChI=1S/C4H10ClO2P/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3 | TXHWYSOQHNMOOU-UHFFFAOYSA-N | C4H10ClO2P | 156.55 | 156.010694 | 1.5 | 18.5 | 47 | 0 | 0 | 2 | 4 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ALPHA,ALPHA-DICHLOROMETHYL METHYL ETHER | 004885-02-3 | 21,004 | dichloro(methoxy)methane | COC(Cl)Cl | InChI=1S/C2H4Cl2O/c1-5-2(3)4/h2H,1H3 | GRTGGSXWHGKRSB-UHFFFAOYSA-N | C2H4Cl2O | 114.96 | 113.96392 | 1.5 | 9.2 | 21 | 0 | 0 | 1 | 1 | 5 | null | null | 0 | 1 | 1 | 1 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
HEXAMETHYLDISILAZANE | 000999-97-3 | 13,838 | [dimethyl-(trimethylsilylamino)silyl]methane | C[Si](C)(C)N[Si](C)(C)C | InChI=1S/C6H19NSi2/c1-8(2,3)7-9(4,5)6/h7H,1-6H3 | FFUAGWLWBBFQJT-UHFFFAOYSA-N | C6H19NSi2 | 161.39 | 161.105603 | null | 12 | 76 | 0 | 1 | 1 | 2 | 9 | 48 °F (NFPA, 2010) | 125 °C | 0 | 1 | 1 | 1 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-METHYL-2-PROPANETHIOL | 000075-66-1 | 6,387 | 2-methylpropane-2-thiol | CC(C)(C)S | InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3 | WMXCDAVJEZZYLT-UHFFFAOYSA-N | C4H10S | 90.19 | 90.050321 | 1.5 | 1 | 25 | 0 | 1 | 1 | 0 | 5 | less than -20 °F (NFPA, 2010) | 149-153 °F at 760 mmHg (NFPA, 2010) | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
TERT-BUTYL METHYL ETHER | 001634-04-4 | 15,413 | 2-methoxy-2-methylpropane | CC(C)(C)OC | InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3 | BZLVMXJERCGZMT-UHFFFAOYSA-N | C5H12O | 88.15 | 88.088815 | 0.9 | 9.2 | 33 | 0 | 0 | 1 | 1 | 6 | -14 °F (USCG, 1999) | 131.4 °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 |
NEOPENTYLAMINE | 005813-64-9 | 79,882 | 2,2-dimethylpropan-1-amine | CC(C)(C)CN | InChI=1S/C5H13N/c1-5(2,3)4-6/h4,6H2,1-3H3 | XDIAMRVROCPPBK-UHFFFAOYSA-N | C5H13N | 87.16 | 87.104799 | 1 | 26 | 33 | 0 | 1 | 1 | 1 | 6 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1,5-HEXADIENE | 000592-42-7 | 11,598 | hexa-1,5-diene | C=CCCC=C | InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2 | PYGSKMBEVAICCR-UHFFFAOYSA-N | C6H10 | 82.14 | 82.07825 | 2.9 | 0 | 36 | 0 | 0 | 0 | 3 | 6 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1,4-HEXADIENE | 000592-45-0 | 11,599 | hexa-1,4-diene | CC=CCC=C | InChI=1S/C6H10/c1-3-5-6-4-2/h3-4,6H,1,5H2,2H3 | PRBHEGAFLDMLAL-UHFFFAOYSA-N | C6H10 | 82.14 | 82.07825 | 2.4 | 0 | 51 | 0 | 0 | 0 | 2 | 6 | -21 °C | 65 °C @ 760 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1,3-HEXADIENE | 000592-48-3 | 39,175 | (3E)-hexa-1,3-diene | CC/C=C/C=C | InChI=1S/C6H10/c1-3-5-6-4-2/h3,5-6H,1,4H2,2H3/b6-5+ | AHAREKHAZNPPMI-AATRIKPKSA-N | C6H10 | 82.14 | 82.07825 | 3.2 | 0 | 51 | 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 |
TRANS-3-HEXENE | 013269-52-8 | 638,066 | (E)-hex-3-ene | CC/C=C/CC | InChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5+ | ZQDPJFUHLCOCRG-AATRIKPKSA-N | C6H12 | 84.16 | 84.0939 | 2.5 | 0 | 29 | 0 | 0 | 0 | 2 | 6 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
CIS-2-HEPTENE | 006443-92-1 | 643,836 | (Z)-hept-2-ene | CCCC/C=C\C | InChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3- | OTTZHAVKAVGASB-HYXAFXHYSA-N | C7H14 | 98.19 | 98.10955 | 3.2 | 0 | 44 | 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 |
CIS-3-HEPTENE | 007642-10-6 | 5,357,258 | (Z)-hept-3-ene | CCC/C=C\CC | InChI=1S/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3/b7-5- | WZHKDGJSXCTSCK-ALCCZGGFSA-N | C7H14 | 98.19 | 98.10955 | 3.1 | 0 | 44 | 0 | 0 | 0 | 3 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2,2-DIMETHYLBUTANE | 000075-83-2 | 6,403 | 2,2-dimethylbutane | CCC(C)(C)C | InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3 | HNRMPXKDFBEGFZ-UHFFFAOYSA-N | C6H14 | 86.18 | 86.10955 | 3 | 0 | 29 | 0 | 0 | 0 | 1 | 6 | -54 °F (NTP, 1992) | 121.5 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
3-HEXYNE | 000928-49-4 | 13,568 | hex-3-yne | CCC#CCC | InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3 | DQQNMIPXXNPGCV-UHFFFAOYSA-N | C6H10 | 82.14 | 82.07825 | 2.3 | 0 | 60 | 0 | 0 | 0 | 0 | 6 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-HEXYNE | 000764-35-2 | 33,629 | hex-2-yne | CCCC#CC | InChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3 | MELUCTCJOARQQG-UHFFFAOYSA-N | C6H10 | 82.14 | 82.07825 | 2.4 | 0 | 68 | 0 | 0 | 0 | 1 | 6 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TRANS-2-HEPTENE | 014686-13-6 | 639,662 | (E)-hept-2-ene | CCCC/C=C/C | InChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3+ | OTTZHAVKAVGASB-HWKANZROSA-N | C7H14 | 98.19 | 98.10955 | 3.2 | 0 | 44 | 0 | 0 | 0 | 3 | 7 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
MAGNESIUM DIMETHOXIDE | 027428-49-5 | 164,537 | magnesium methanolate | C[O-].C[O-].[Mg+2] | InChI=1S/2CH3O.Mg/c2*1-2;/h2*1H3;/q2*-1;+2 | CRGZYKWWYNQGEC-UHFFFAOYSA-N | C2H6MgO2 | 86.37 | 86.021821 | null | 46.1 | 2 | 0 | 0 | 2 | 0 | 5 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
DIMETHYLDIETHOXYSILANE | 000078-62-6 | 62,322 | diethoxy(dimethyl)silane | CCO[Si](C)(C)OCC | InChI=1S/C6H16O2Si/c1-5-7-9(3,4)8-6-2/h5-6H2,1-4H3 | YYLGKUPAFFKGRQ-UHFFFAOYSA-N | C6H16O2Si | 148.28 | 148.091956 | null | 18.5 | 65 | 0 | 0 | 2 | 4 | 9 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ETHYLALUMINUM DICHLORIDE | 000563-43-9 | 11,237 | dichloro(ethyl)alumane | CC[Al](Cl)Cl | InChI=1S/C2H5.Al.2ClH/c1-2;;;/h1H2,2H3;;2*1H/q;+2;;/p-2 | UAIZDWNSWGTKFZ-UHFFFAOYSA-L | C2H5AlCl2 | 126.95 | 125.958369 | null | 0 | 21 | 0 | 0 | 0 | 0 | 5 | null | 381 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TRIETHYLBORANE | 000097-94-9 | 7,357 | triethylborane | B(CC)(CC)CC | InChI=1S/C6H15B/c1-4-7(5-2)6-3/h4-6H2,1-3H3 | LALRXNPLTWZJIJ-UHFFFAOYSA-N | C6H15B | 98 | 98.126681 | null | 0 | 25 | 0 | 0 | 0 | 3 | 7 | -33 °F (-36 dec C) (open cup) /table/ | 95 °C | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 |
ACETONITRILE-D3 | 002206-26-0 | 123,151 | 2,2,2-trideuterioacetonitrile | [2H]C([2H])([2H])C#N | InChI=1S/C2H3N/c1-2-3/h1H3/i1D3 | WEVYAHXRMPXWCK-FIBGUPNXSA-N | C2H3N | 44.07 | 44.045379 | 0 | 23.8 | 29 | 0 | 0 | 1 | 0 | 3 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
TRIETHYL BORATE | 000150-46-9 | 9,009 | triethyl borate | B(OCC)(OCC)OCC | InChI=1S/C6H15BO3/c1-4-8-7(9-5-2)10-6-3/h4-6H2,1-3H3 | AJSTXXYNEIHPMD-UHFFFAOYSA-N | C6H15BO3 | 145.99 | 146.111425 | null | 27.7 | 55 | 0 | 0 | 3 | 6 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 1 |
TRICHLOROVINYLSILANE | 000075-94-5 | 6,413 | trichloro(ethenyl)silane | C=C[Si](Cl)(Cl)Cl | InChI=1S/C2H3Cl3Si/c1-2-6(3,4)5/h2H,1H2 | GQIUQDDJKHLHTB-UHFFFAOYSA-N | C2H3Cl3Si | 161.48 | 159.90696 | null | 0 | 54 | 0 | 0 | 0 | 0 | 6 | 70 °F (NFPA, 2010) | 195.1 °F at 760 mmHg (USCG, 1999) | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
METHYL-D3 ALCOHOL-D | 000811-98-3 | 71,568 | trideuterio(deuteriooxy)methane | [2H]C([2H])([2H])O[2H] | InChI=1S/CH4O/c1-2/h2H,1H3/i1D3,2D | OKKJLVBELUTLKV-MZCSYVLQSA-N | CH4O | 36.066 | 36.051322 | -0.5 | 20.2 | 2 | 0 | 1 | 1 | 0 | 2 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
TETRAMETHYLTIN | 000594-27-4 | 11,661 | tetramethylstannane | C[Sn](C)(C)C | InChI=1S/4CH3.Sn/h4*1H3; | VXKWYPOMXBVZSJ-UHFFFAOYSA-N | C4H12Sn | 178.85 | 179.996103 | null | 0 | 19 | 0 | 0 | 0 | 0 | 5 | null | null | 1 | 1 | 1 | 1 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PROPARGYL CHLORIDE | 000624-65-7 | 12,221 | 3-chloroprop-1-yne | C#CCCl | InChI=1S/C3H3Cl/c1-2-3-4/h1H,3H2 | LJZPPWWHKPGCHS-UHFFFAOYSA-N | C3H3Cl | 74.51 | 73.992328 | 0.9 | 0 | 38 | 0 | 0 | 0 | 0 | 4 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
AZIDOTRIMETHYLSILANE | 004648-54-8 | 78,378 | azido(trimethyl)silane | C[Si](C)(C)N=[N+]=[N-] | InChI=1S/C3H9N3Si/c1-7(2,3)6-5-4/h1-3H3 | SEDZOYHHAIAQIW-UHFFFAOYSA-N | C3H9N3Si | 115.21 | 115.056574 | null | 14.4 | 97 | 0 | 0 | 2 | 1 | 7 | null | null | 1 | 1 | 1 | 1 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
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