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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HEXAETHYLPHOSPHOROUS TRIAMIDE | 002283-11-6 | 75,292 | N-[bis(diethylamino)phosphanyl]-N-ethylethanamine | CCN(CC)P(N(CC)CC)N(CC)CC | InChI=1S/C12H30N3P/c1-7-13(8-2)16(14(9-3)10-4)15(11-5)12-6/h7-12H2,1-6H3 | FDIOSTIIZGWENY-UHFFFAOYSA-N | C12H30N3P | 247.36 | 247.217735 | 2.8 | 9.7 | 126 | 0 | 0 | 3 | 9 | 16 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
DI-TERT-BUTYL NITROXIDE | 002406-25-9 | 520,092 | null | CC(C)(C)N(C(C)(C)C)[O] | InChI=1S/C8H18NO/c1-7(2,3)9(10)8(4,5)6/h1-6H3 | CKJMHSMEPSUICM-UHFFFAOYSA-N | C8H18NO | 144.23 | 144.138839 | 1.7 | 4.2 | 93 | 0 | 0 | 1 | 2 | 10 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1,9-DECADIENE | 001647-16-1 | 15,439 | deca-1,9-diene | C=CCCCCCCC=C | InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h3-4H,1-2,5-10H2 | NLDGJRWPPOSWLC-UHFFFAOYSA-N | C10H18 | 138.25 | 138.140851 | 5.1 | 0 | 70 | 0 | 0 | 0 | 7 | 10 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
OCTYL ALDEHYDE | 000124-13-0 | 454 | octanal | CCCCCCCC=O | InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3 | NUJGJRNETVAIRJ-UHFFFAOYSA-N | C8H16O | 128.21 | 128.120115 | 2.7 | 17.1 | 59 | 0 | 0 | 1 | 6 | 9 | 125 °F (USCG, 1999) | 171 °C | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1-CYANOHEXANE | 000629-08-3 | 12,372 | heptanenitrile | CCCCCCC#N | InChI=1S/C7H13N/c1-2-3-4-5-6-7-8/h2-6H2,1H3 | SDAXRHHPNYTELL-UHFFFAOYSA-N | C7H13N | 111.18 | 111.104799 | 2.2 | 23.8 | 77 | 0 | 0 | 1 | 4 | 8 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
3-HEXANONE | 000589-38-8 | 11,509 | hexan-3-one | CCCC(=O)CC | InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3 | PFCHFHIRKBAQGU-UHFFFAOYSA-N | C6H12O | 100.16 | 100.088815 | 1.2 | 17.1 | 57 | 0 | 0 | 1 | 3 | 7 | null | 123.00 to 124.00 °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-ETHYLHEXENE-1 | 001632-16-2 | 15,404 | 3-methylideneheptane | CCCCC(=C)CC | InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h3-7H2,1-2H3 | XTVRLCUJHGUXCP-UHFFFAOYSA-N | C8H16 | 112.21 | 112.125201 | 4 | 0 | 62 | 0 | 0 | 0 | 4 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
3,5,5-TRIMETHYLHEXENE-1 | 004316-65-8 | 92,984 | 3,5,5-trimethylhex-1-ene | CC(CC(C)(C)C)C=C | InChI=1S/C9H18/c1-6-8(2)7-9(3,4)5/h6,8H,1,7H2,2-5H3 | JTXUVHFRSRTSAT-UHFFFAOYSA-N | C9H18 | 126.24 | 126.140851 | 3.9 | 0 | 84 | 0 | 0 | 0 | 3 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
TRIMETHOXYPROPYLSILANE | 001067-25-0 | 61,254 | trimethoxy(propyl)silane | CCC[Si](OC)(OC)OC | InChI=1S/C6H16O3Si/c1-5-6-10(7-2,8-3)9-4/h5-6H2,1-4H3 | HQYALQRYBUJWDH-UHFFFAOYSA-N | C6H16O3Si | 164.27 | 164.086871 | null | 27.7 | 74 | 0 | 0 | 3 | 5 | 10 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
3-METHYL-2,4-PENTANEDIONE | 000815-57-6 | 69,949 | 3-methylpentane-2,4-dione | CC(C(=O)C)C(=O)C | InChI=1S/C6H10O2/c1-4(5(2)7)6(3)8/h4H,1-3H3 | GSOHKPVFCOWKPU-UHFFFAOYSA-N | C6H10O2 | 114.14 | 114.06808 | 0.4 | 34.1 | 102 | 0 | 0 | 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 |
MALONALDEHYDE BIS(DIMETHYL ACETAL) | 000102-52-3 | 66,019 | 1,1,3,3-tetramethoxypropane | COC(CC(OC)OC)OC | InChI=1S/C7H16O4/c1-8-6(9-2)5-7(10-3)11-4/h6-7H,5H2,1-4H3 | XHTYQFMRBQUCPX-UHFFFAOYSA-N | C7H16O4 | 164.2 | 164.104859 | 0.3 | 36.9 | 68 | 0 | 0 | 4 | 6 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2,2,3,3,4,4,4-HEPTAFLUORO-1-BUTANOL | 000375-01-9 | 9,776 | 2,2,3,3,4,4,4-heptafluorobutan-1-ol | C(C(C(C(F)(F)F)(F)F)(F)F)O | InChI=1S/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2 | WXJFKAZDSQLPBX-UHFFFAOYSA-N | C4H3F7O | 200.05 | 200.007212 | 1.9 | 20.2 | 159 | 0 | 1 | 8 | 2 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
CHLOROACETALDEHYDE DIMETHYL ACETAL | 000097-97-2 | 60,986 | 2-chloro-1,1-dimethoxyethane | COC(CCl)OC | InChI=1S/C4H9ClO2/c1-6-4(3-5)7-2/h4H,3H2,1-2H3 | CRZJPEIBPQWDGJ-UHFFFAOYSA-N | C4H9ClO2 | 124.56 | 124.029107 | 0.7 | 18.5 | 36 | 0 | 0 | 2 | 3 | 7 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ETHYL HEXANOATE | 000123-66-0 | 31,265 | ethyl hexanoate | CCCCCC(=O)OCC | InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3 | SHZIWNPUGXLXDT-UHFFFAOYSA-N | C8H16O2 | 144.21 | 144.11503 | 2.4 | 26.3 | 89 | 0 | 0 | 2 | 6 | 10 | null | 166.00 to 168.00 °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 |
DIMETHYLAMINOACETALDEHYDE DIMETHYL ACETAL | 038711-20-5 | 123,476 | 2,2-dimethoxy-N,N-dimethylethanamine | CN(C)CC(OC)OC | InChI=1S/C6H15NO2/c1-7(2)5-6(8-3)9-4/h6H,5H2,1-4H3 | HUYAEQCJNXODLQ-UHFFFAOYSA-N | C6H15NO2 | 133.19 | 133.110279 | 0.1 | 21.7 | 62 | 0 | 0 | 3 | 4 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TRIETHOXYETHYLSILANE | 000078-07-9 | 6,515 | triethoxy(ethyl)silane | CCO[Si](CC)(OCC)OCC | InChI=1S/C8H20O3Si/c1-5-9-12(8-4,10-6-2)11-7-3/h5-8H2,1-4H3 | DENFJSAFJTVPJR-UHFFFAOYSA-N | C8H20O3Si | 192.33 | 192.118171 | null | 27.7 | 91 | 0 | 0 | 3 | 7 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-BROMO-2-BUTYNE | 003355-28-0 | 2,756,862 | 1-bromobut-2-yne | CC#CCBr | InChI=1S/C4H5Br/c1-2-3-4-5/h4H2,1H3 | LNNXOEHOXSYWLD-UHFFFAOYSA-N | C4H5Br | 132.99 | 131.95746 | 1.6 | 0 | 62 | 0 | 0 | 0 | 0 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
HEXYL ACETATE | 000142-92-7 | 8,908 | hexyl acetate | CCCCCCOC(=O)C | InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3 | AOGQPLXWSUTHQB-UHFFFAOYSA-N | C8H16O2 | 144.21 | 144.11503 | 2.4 | 26.3 | 89 | 0 | 0 | 2 | 6 | 10 | 99 °F (USCG, 1999) | 334.4 to 338 °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 |
PROPYL PROPIONATE | 000106-36-5 | 7,803 | propyl propanoate | CCCOC(=O)CC | InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3 | MCSINKKTEDDPNK-UHFFFAOYSA-N | C6H12O2 | 116.16 | 116.08373 | 1.7 | 26.3 | 68 | 0 | 0 | 2 | 4 | 8 | null | 122.00 to 124.00 °C. @ 760.00 mm Hg | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
BUTYL BUTYRATE | 000109-21-7 | 7,983 | butyl butanoate | CCCCOC(=O)CCC | InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3 | XUPYJHCZDLZNFP-UHFFFAOYSA-N | C8H16O2 | 144.21 | 144.11503 | 2.2 | 26.3 | 89 | 0 | 0 | 2 | 6 | 10 | 128 °F (USCG, 1999) | 332 °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 |
3-(CHLOROMETHYL)HEPTANE | 000123-04-6 | 31,240 | 3-(chloromethyl)heptane | CCCCC(CC)CCl | InChI=1S/C8H17Cl/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3 | WLVCBAMXYMWGLJ-UHFFFAOYSA-N | C8H17Cl | 148.67 | 148.101878 | 4.4 | 0 | 52 | 0 | 0 | 0 | 5 | 9 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
(3-CHLOROPROPYL)TRIMETHOXYSILANE | 002530-87-2 | 62,449 | 3-chloropropyl(trimethoxy)silane | CO[Si](CCCCl)(OC)OC | InChI=1S/C6H15ClO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4-6H2,1-3H3 | OXYZDRAJMHGSMW-UHFFFAOYSA-N | C6H15ClO3Si | 198.72 | 198.047899 | null | 27.7 | 89 | 0 | 0 | 3 | 6 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
3-CHLOROPROPIONALDEHYDE DIETHYL ACETAL | 035573-93-4 | 96,217 | 3-chloro-1,1-diethoxypropane | CCOC(CCCl)OCC | InChI=1S/C7H15ClO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-6H2,1-2H3 | NXHONHDWVLPPCS-UHFFFAOYSA-N | C7H15ClO2 | 166.64 | 166.076057 | 1.8 | 18.5 | 62 | 0 | 0 | 2 | 6 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ETHYL PYRUVATE | 000617-35-6 | 12,041 | ethyl 2-oxopropanoate | CCOC(=O)C(=O)C | InChI=1S/C5H8O3/c1-3-8-5(7)4(2)6/h3H2,1-2H3 | XXRCUYVCPSWGCC-UHFFFAOYSA-N | C5H8O3 | 116.11 | 116.047344 | 0.4 | 43.4 | 106 | 0 | 0 | 3 | 3 | 8 | null | 144.00 °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 |
2,2,3,4,4,4-HEXAFLUORO-1-BUTANOL | 000382-31-0 | 533,990 | 2,2,3,4,4,4-hexafluorobutan-1-ol | C(C(C(C(F)(F)F)F)(F)F)O | InChI=1S/C4H4F6O/c5-2(4(8,9)10)3(6,7)1-11/h2,11H,1H2 | LVFXLZRISXUAIL-UHFFFAOYSA-N | C4H4F6O | 182.06 | 182.016634 | 1.7 | 20.2 | 129 | 0 | 1 | 7 | 2 | 11 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ETHYLTRIMETHOXYSILANE | 005314-55-6 | 79,204 | ethyl(trimethoxy)silane | CC[Si](OC)(OC)OC | InChI=1S/C5H14O3Si/c1-5-9(6-2,7-3)8-4/h5H2,1-4H3 | SBRXLTRZCJVAPH-UHFFFAOYSA-N | C5H14O3Si | 150.25 | 150.071221 | null | 27.7 | 64 | 0 | 0 | 3 | 4 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
METHYLTRIETHOXYSILANE | 002031-67-6 | 16,241 | triethoxy(methyl)silane | CCO[Si](C)(OCC)OCC | InChI=1S/C7H18O3Si/c1-5-8-11(4,9-6-2)10-7-3/h5-7H2,1-4H3 | CPUDPFPXCZDNGI-UHFFFAOYSA-N | C7H18O3Si | 178.3 | 178.102521 | null | 27.7 | 80 | 0 | 0 | 3 | 6 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
TRANS-2-HEXEN-1-OL | 000928-95-0 | 5,318,042 | (E)-hex-2-en-1-ol | CCC/C=C/CO | InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4+ | ZCHHRLHTBGRGOT-SNAWJCMRSA-N | C6H12O | 100.16 | 100.088815 | 1.4 | 20.2 | 48 | 0 | 1 | 1 | 3 | 7 | null | 158.00 to 160.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
CIS-2-HEXEN-1-OL | 000928-94-9 | 5,324,489 | (Z)-hex-2-en-1-ol | CCC/C=C\CO | InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4- | ZCHHRLHTBGRGOT-PLNGDYQASA-N | C6H12O | 100.16 | 100.088815 | 1.4 | 20.2 | 48 | 0 | 1 | 1 | 3 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
TRANS-3-HEXEN-1-OL | 000928-97-2 | 5,284,503 | (E)-hex-3-en-1-ol | CC/C=C/CCO | InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3+ | UFLHIIWVXFIJGU-ONEGZZNKSA-N | C6H12O | 100.16 | 100.088815 | 1.3 | 20.2 | 48 | 0 | 1 | 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-PENTANOL | 000584-02-1 | 11,428 | pentan-3-ol | CCC(CC)O | InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3 | AQIXEPGDORPWBJ-UHFFFAOYSA-N | C5H12O | 88.15 | 88.088815 | 1.2 | 20.2 | 23 | 0 | 1 | 1 | 2 | 6 | 30 °C c.c. | 116 °C | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-METHYL-2-PROPEN-1-OL | 000513-42-8 | 10,557 | 2-methylprop-2-en-1-ol | CC(=C)CO | InChI=1S/C4H8O/c1-4(2)3-5/h5H,1,3H2,2H3 | BYDRTKVGBRTTIT-UHFFFAOYSA-N | C4H8O | 72.11 | 72.057515 | 0.8 | 20.2 | 38 | 0 | 1 | 1 | 1 | 5 | 92 °F (USCG, 1999) | 239 °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 | 1 |
AMYLNITRATE | 001002-16-0 | 61,250 | pentyl nitrate | CCCCCO[N+](=O)[O-] | InChI=1S/C5H11NO3/c1-2-3-4-5-9-6(7)8/h2-5H2,1H3 | HSNWZBCBUUSSQD-UHFFFAOYSA-N | C5H11NO3 | 133.15 | 133.073893 | 2.7 | 55.1 | 78 | 0 | 0 | 3 | 4 | 9 | 120 °F (USCG, 1999) | 292 to 314 °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 |
(S)-(+)-2-METHYLBUTYRONITRILE | 025570-03-0 | 642,159 | (2S)-2-methylbutanenitrile | CC[C@H](C)C#N | InChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3/t5-/m0/s1 | RCEJCSULJQNRQQ-YFKPBYRVSA-N | C5H9N | 83.13 | 83.073499 | 1.1 | 23.8 | 67 | 0 | 0 | 1 | 1 | 6 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PROPYLENE GLYCOL PROPYL ETHER | 001569-01-3 | 15,286 | 1-propoxypropan-2-ol | CCCOCC(C)O | InChI=1S/C6H14O2/c1-3-4-8-5-6(2)7/h6-7H,3-5H2,1-2H3 | FENFUOGYJVOCRY-UHFFFAOYSA-N | C6H14O2 | 118.17 | 118.09938 | 0.7 | 29.5 | 45 | 0 | 1 | 2 | 4 | 8 | 48 °C (118 °F) - closed cup | 150.2 °C | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
3-HEPTANOL | 000589-82-2 | 11,520 | heptan-3-ol | CCCCC(CC)O | InChI=1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3 | RZKSECIXORKHQS-UHFFFAOYSA-N | C7H16O | 116.2 | 116.120115 | 2.2 | 20.2 | 43 | 0 | 1 | 1 | 4 | 8 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1,1,1-TRIFLUORO-2,4-PENTANEDIONE | 000367-57-7 | 73,943 | 1,1,1-trifluoropentane-2,4-dione | CC(=O)CC(=O)C(F)(F)F | InChI=1S/C5H5F3O2/c1-3(9)2-4(10)5(6,7)8/h2H2,1H3 | SHXHPUAKLCCLDV-UHFFFAOYSA-N | C5H5F3O2 | 154.09 | 154.024164 | 0.9 | 34.1 | 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 |
TITANIUM PROPOXIDE | 003087-37-4 | 9,903,917 | tetrakis(propan-1-olate);titanium(4+) | CCC[O-].CCC[O-].CCC[O-].CCC[O-].[Ti+4] | InChI=1S/4C3H7O.Ti/c4*1-2-3-4;/h4*2-3H2,1H3;/q4*-1;+4 | HKJYVRJHDIPMQB-UHFFFAOYSA-N | C12H28O4Ti | 284.22 | 284.1467 | null | 92.2 | 7 | 0 | 0 | 4 | 4 | 17 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
3-CHLORO-1-PROPANETHIOL | 017481-19-5 | 87,134 | 3-chloropropane-1-thiol | C(CS)CCl | InChI=1S/C3H7ClS/c4-2-1-3-5/h5H,1-3H2 | TZCFWOHAWRIQGF-UHFFFAOYSA-N | C3H7ClS | 110.61 | 109.995699 | 1.5 | 1 | 16 | 0 | 1 | 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 |
4-PENTEN-1-OL | 000821-09-0 | 13,181 | pent-4-en-1-ol | C=CCCCO | InChI=1S/C5H10O/c1-2-3-4-5-6/h2,6H,1,3-5H2 | LQAVWYMTUMSFBE-UHFFFAOYSA-N | C5H10O | 86.13 | 86.073165 | 1 | 20.2 | 32 | 0 | 1 | 1 | 3 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
CIS-2-PENTEN-1-OL | 001576-95-0 | 5,364,919 | (Z)-pent-2-en-1-ol | CC/C=C\CO | InChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3/b4-3- | BTSIZIIPFNVMHF-ARJAWSKDSA-N | C5H10O | 86.13 | 86.073165 | 0.9 | 20.2 | 39 | 0 | 1 | 1 | 2 | 6 | null | 138.00 °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 |
ETHYL DISULFIDE | 000110-81-6 | 8,077 | (ethyldisulfanyl)ethane | CCSSCC | InChI=1S/C4H10S2/c1-3-5-6-4-2/h3-4H2,1-2H3 | CETBSQOFQKLHHZ-UHFFFAOYSA-N | C4H10S2 | 122.3 | 122.022393 | 1.6 | 50.6 | 17 | 0 | 0 | 2 | 3 | 6 | null | 152.00 °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 |
3,3,3-TRIFLUOROPROPYL-TRIMETHOXYSILANE | 000429-60-7 | 67,933 | trimethoxy(3,3,3-trifluoropropyl)silane | CO[Si](CCC(F)(F)F)(OC)OC | InChI=1S/C6H13F3O3Si/c1-10-13(11-2,12-3)5-4-6(7,8)9/h4-5H2,1-3H3 | JLGNHOJUQFHYEZ-UHFFFAOYSA-N | C6H13F3O3Si | 218.25 | 218.058605 | null | 27.7 | 138 | 0 | 0 | 6 | 5 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
4-HEPTANOL | 000589-55-9 | 11,513 | heptan-4-ol | CCCC(CCC)O | InChI=1S/C7H16O/c1-3-5-7(8)6-4-2/h7-8H,3-6H2,1-2H3 | YVBCULSIZWMTFY-UHFFFAOYSA-N | C7H16O | 116.2 | 116.120115 | 2.2 | 20.2 | 37 | 0 | 1 | 1 | 4 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
CHLOROMETHYLTRIETHOXYSILANE | 015267-95-5 | 84,858 | chloromethyl(triethoxy)silane | CCO[Si](CCl)(OCC)OCC | InChI=1S/C7H17ClO3Si/c1-4-9-12(7-8,10-5-2)11-6-3/h4-7H2,1-3H3 | ZDOBWJOCPDIBRZ-UHFFFAOYSA-N | C7H17ClO3Si | 212.74 | 212.063549 | null | 27.7 | 95 | 0 | 0 | 3 | 7 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
DIMETHYL TRISULFIDE | 003658-80-8 | 19,310 | (methyltrisulfanyl)methane | CSSSC | InChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3 | YWHLKYXPLRWGSE-UHFFFAOYSA-N | C2H6S3 | 126.3 | 125.963164 | 1.3 | 75.9 | 12 | 0 | 0 | 3 | 2 | 5 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1,1,1-TRIFLUORO-5,5-DIMETHYL-2,4-HEXANEDIONE | 022767-90-4 | 89,830 | 1,1,1-trifluoro-5,5-dimethylhexane-2,4-dione | CC(C)(C)C(=O)CC(=O)C(F)(F)F | InChI=1S/C8H11F3O2/c1-7(2,3)5(12)4-6(13)8(9,10)11/h4H2,1-3H3 | BVPKYBMUQDZTJH-UHFFFAOYSA-N | C8H11F3O2 | 196.17 | 196.071114 | 2.3 | 34.1 | 223 | 0 | 0 | 5 | 3 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
(S)-(+)-2-BUTANOL | 004221-99-2 | 444,683 | (2S)-butan-2-ol | CC[C@H](C)O | InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m0/s1 | BTANRVKWQNVYAZ-BYPYZUCNSA-N | C4H10O | 74.12 | 74.073165 | 0.6 | 20.2 | 19 | 0 | 1 | 1 | 1 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
(S)-(+)-2-HEXANOL | 052019-78-0 | 638,097 | (2S)-hexan-2-ol | CCCC[C@H](C)O | InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3/t6-/m0/s1 | QNVRIHYSUZMSGM-LURJTMIESA-N | C6H14O | 102.17 | 102.104465 | 1.8 | 20.2 | 35 | 0 | 1 | 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 |
(R)-(-)-2-HEXANOL | 026549-24-6 | 6,993,810 | (2R)-hexan-2-ol | CCCC[C@@H](C)O | InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3/t6-/m1/s1 | QNVRIHYSUZMSGM-ZCFIWIBFSA-N | C6H14O | 102.17 | 102.104465 | 1.8 | 20.2 | 35 | 0 | 1 | 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 |
2-METHYL-3-PENTANOL | 000565-67-3 | 11,264 | 2-methylpentan-3-ol | CCC(C(C)C)O | InChI=1S/C6H14O/c1-4-6(7)5(2)3/h5-7H,4H2,1-3H3 | ISTJMQSHILQAEC-UHFFFAOYSA-N | C6H14O | 102.17 | 102.104465 | 1.8 | 20.2 | 41 | 0 | 1 | 1 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
METHYL 2-METHOXYPROPIONATE | 017639-76-8 | 86,599 | methyl 2-methoxypropanoate | CC(C(=O)OC)OC | InChI=1S/C5H10O3/c1-4(7-2)5(6)8-3/h4H,1-3H3 | VABBJJOSOCPYIT-UHFFFAOYSA-N | C5H10O3 | 118.13 | 118.062994 | 0.4 | 35.5 | 79 | 0 | 0 | 3 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TRIETHYLSILANOL | 000597-52-4 | 69,005 | triethyl(hydroxy)silane | CC[Si](CC)(CC)O | InChI=1S/C6H16OSi/c1-4-8(7,5-2)6-3/h7H,4-6H2,1-3H3 | WVMSIBFANXCZKT-UHFFFAOYSA-N | C6H16OSi | 132.28 | 132.097042 | null | 20.2 | 51 | 0 | 1 | 1 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
3-PENTYN-1-OL | 010229-10-4 | 66,295 | pent-3-yn-1-ol | CC#CCCO | InChI=1S/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3 | IDYNOORNKYEHHO-UHFFFAOYSA-N | C5H8O | 84.12 | 84.057515 | 0.6 | 20.2 | 72 | 0 | 1 | 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 |
N,N-DIETHYLFORMAMIDE | 000617-84-5 | 12,051 | N,N-diethylformamide | CCN(CC)C=O | InChI=1S/C5H11NO/c1-3-6(4-2)5-7/h5H,3-4H2,1-2H3 | SUAKHGWARZSWIH-UHFFFAOYSA-N | C5H11NO | 101.15 | 101.084064 | 0.5 | 20.3 | 50 | 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 |
3H,5H-OCTAMETHYLTETRASILOXANE | 016066-09-4 | 6,327,318 | null | C[Si](O[Si](C)O[Si](C)(C)C)O[Si](C)(C)C | InChI=1S/C8H24O3Si4/c1-12(10-14(3,4)5)9-13(2)11-15(6,7)8/h1-8H3 | OHSYWAVRSCQMHG-UHFFFAOYSA-N | C8H24O3Si4 | 280.61 | 280.080251 | null | 27.7 | 167 | 0 | 0 | 3 | 6 | 15 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
BUTYL PROPANOATE | 000590-01-2 | 11,529 | butyl propanoate | CCCCOC(=O)CC | InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3 | BTMVHUNTONAYDX-UHFFFAOYSA-N | C7H14O2 | 130.18 | 130.09938 | 2.1 | 26.3 | 79 | 0 | 0 | 2 | 5 | 9 | 101 °F (USCG, 1999) | 296.2 °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 |
CROTYL ALCOHOL (CIS+TRANS) | 006117-91-5 | 20,024 | but-2-en-1-ol | CC=CCO | InChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3 | WCASXYBKJHWFMY-UHFFFAOYSA-N | C4H8O | 72.11 | 72.057515 | 0.4 | 20.2 | 30 | 0 | 1 | 1 | 1 | 5 | null | null | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-FLUOROETHYL METHACRYLATE | 000686-54-4 | 2,737,319 | 2-fluoroethyl 2-methylprop-2-enoate | CC(=C)C(=O)OCCF | InChI=1S/C6H9FO2/c1-5(2)6(8)9-4-3-7/h1,3-4H2,2H3 | WPSKNCNCLSXMTN-UHFFFAOYSA-N | C6H9FO2 | 132.13 | 132.058658 | 1.5 | 26.3 | 120 | 0 | 0 | 3 | 4 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ACETALDEHYDE OXIME | 000107-29-9 | 7,863 | N-ethylidenehydroxylamine | CC=NO | InChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3 | FZENGILVLUJGJX-UHFFFAOYSA-N | C2H5NO | 59.07 | 59.037114 | -0.1 | 32.6 | 25 | 0 | 1 | 2 | 0 | 4 | Flash point < 22 °C | 115 °C | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 |
3-HYDROXY-3-METHYL-2-BUTANONE | 000115-22-0 | 8,261 | 3-hydroxy-3-methylbutan-2-one | CC(=O)C(C)(C)O | InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3 | BNDRWEVUODOUDW-UHFFFAOYSA-N | C5H10O2 | 102.13 | 102.06808 | -0.1 | 37.3 | 84 | 0 | 1 | 2 | 1 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
DECAMETHYLTETRASILOXANE | 000141-62-8 | 8,852 | [dimethyl(trimethylsilyloxy)silyl]oxy-dimethyl-trimethylsilyloxysilane | C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C | InChI=1S/C10H30O3Si4/c1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6/h1-10H3 | YFCGDEUVHLPRCZ-UHFFFAOYSA-N | C10H30O3Si4 | 310.68 | 310.127201 | null | 27.7 | 227 | 0 | 0 | 3 | 6 | 17 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
SULFUROUS ACID, DIMETHYL ESTER | 000616-42-2 | 69,223 | dimethyl sulfite | COS(=O)OC | InChI=1S/C2H6O3S/c1-4-6(3)5-2/h1-2H3 | BDUPRNVPXOHWIL-UHFFFAOYSA-N | C2H6O3S | 110.13 | 110.003765 | 0.2 | 54.7 | 46 | 0 | 0 | 4 | 2 | 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, PENTYL ESTER | 000624-54-4 | 12,217 | pentyl propanoate | CCCCCOC(=O)CC | InChI=1S/C8H16O2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3 | TWSRVQVEYJNFKQ-UHFFFAOYSA-N | C8H16O2 | 144.21 | 144.11503 | 2.4 | 26.3 | 89 | 0 | 0 | 2 | 6 | 10 | 106 °F (USCG, 1999) | 167.00 to 169.00 °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 |
3,3-DIMETHYL-1-BUTANOL | 000624-95-3 | 12,233 | 3,3-dimethylbutan-1-ol | CC(C)(C)CCO | InChI=1S/C6H14O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3 | DUXCSEISVMREAX-UHFFFAOYSA-N | C6H14O | 102.17 | 102.104465 | 1.6 | 20.2 | 42 | 0 | 1 | 1 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1-BROMO-4-METHYLPENTANE | 000626-88-0 | 69,385 | 1-bromo-4-methylpentane | CC(C)CCCBr | InChI=1S/C6H13Br/c1-6(2)4-3-5-7/h6H,3-5H2,1-2H3 | XZKFBZOAIGFZSU-UHFFFAOYSA-N | C6H13Br | 165.07 | 164.02006 | 3 | 0 | 33 | 0 | 0 | 0 | 3 | 7 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-CHLOROHEXANE | 000638-28-8 | 12,521 | 2-chlorohexane | CCCCC(C)Cl | InChI=1S/C6H13Cl/c1-3-4-5-6(2)7/h6H,3-5H2,1-2H3 | GLCIPJOIEVLTPR-UHFFFAOYSA-N | C6H13Cl | 120.62 | 120.070578 | 3 | 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 | 0 |
1,7-OCTADIYNE | 000871-84-1 | 70,099 | octa-1,7-diyne | C#CCCCCC#C | InChI=1S/C8H10/c1-3-5-7-8-6-4-2/h1-2H,5-8H2 | DSOJWVLXZNRKCS-UHFFFAOYSA-N | C8H10 | 106.16 | 106.07825 | 2.5 | 0 | 107 | 0 | 0 | 0 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
6-CHLORO-1-HEXENE | 000928-89-2 | 70,233 | 6-chlorohex-1-ene | C=CCCCCCl | InChI=1S/C6H11Cl/c1-2-3-4-5-6-7/h2H,1,3-6H2 | BLMIXWDJHNJWDT-UHFFFAOYSA-N | C6H11Cl | 118.6 | 118.054928 | 2.6 | 0 | 41 | 0 | 0 | 0 | 4 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
(4Z)-4-HEXEN-1-OL | 000928-91-6 | 5,365,589 | (Z)-hex-4-en-1-ol | C/C=C\CCCO | InChI=1S/C6H12O/c1-2-3-4-5-6-7/h2-3,7H,4-6H2,1H3/b3-2- | VTIODUHBZHNXFP-IHWYPQMZSA-N | C6H12O | 100.16 | 100.088815 | 1.2 | 20.2 | 48 | 0 | 1 | 1 | 3 | 7 | null | 159.00 to 160.00 °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 |
BUTYLTRIMETHOXYSILANE | 001067-57-8 | 70,601 | butyl(trimethoxy)silane | CCCC[Si](OC)(OC)OC | InChI=1S/C7H18O3Si/c1-5-6-7-11(8-2,9-3)10-4/h5-7H2,1-4H3 | SXPLZNMUBFBFIA-UHFFFAOYSA-N | C7H18O3Si | 178.3 | 178.102521 | null | 27.7 | 85 | 0 | 0 | 3 | 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-DIMETHYLAMINOETHYL ACETATE | 001421-89-2 | 15,013 | 2-(dimethylamino)ethyl acetate | CC(=O)OCCN(C)C | InChI=1S/C6H13NO2/c1-6(8)9-5-4-7(2)3/h4-5H2,1-3H3 | GOLSFPMYASLXJC-UHFFFAOYSA-N | C6H13NO2 | 131.17 | 131.094629 | 0.2 | 29.5 | 91 | 0 | 0 | 3 | 4 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
BIS(METHYLTHIO)METHANE | 001618-26-4 | 15,380 | bis(methylsulfanyl)methane | CSCSC | InChI=1S/C3H8S2/c1-4-3-5-2/h3H2,1-2H3 | LOCDPORVFVOGCR-UHFFFAOYSA-N | C3H8S2 | 108.23 | 108.006743 | 1.6 | 50.6 | 12 | 0 | 0 | 2 | 2 | 5 | null | 147.00 to 148.00 °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 |
3-CHLORO-2,4-PENTANEDIONE | 001694-29-7 | 74,328 | 3-chloropentane-2,4-dione | CC(=O)C(C(=O)C)Cl | InChI=1S/C5H7ClO2/c1-3(7)5(6)4(2)8/h5H,1-2H3 | VLRGXXKFHVJQOL-UHFFFAOYSA-N | C5H7ClO2 | 134.56 | 134.013457 | 0.5 | 34.1 | 106 | 0 | 0 | 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 |
2-METHOXYACETONITRILE | 001738-36-9 | 74,442 | 2-methoxyacetonitrile | COCC#N | InChI=1S/C3H5NO/c1-5-3-2-4/h3H2,1H3 | QKPVEISEHYYHRH-UHFFFAOYSA-N | C3H5NO | 71.08 | 71.037114 | -0.1 | 33 | 51 | 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 |
3-CHLOROHEXANE | 002346-81-8 | 33,016 | 3-chlorohexane | CCCC(CC)Cl | InChI=1S/C6H13Cl/c1-3-5-6(7)4-2/h6H,3-5H2,1-2H3 | BXSMMAVTEURRGG-UHFFFAOYSA-N | C6H13Cl | 120.62 | 120.070578 | 3 | 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 | 0 |
PENTYL ACRYLATE | 002998-23-4 | 76,345 | pentyl prop-2-enoate | CCCCCOC(=O)C=C | InChI=1S/C8H14O2/c1-3-5-6-7-10-8(9)4-2/h4H,2-3,5-7H2,1H3 | ULDDEWDFUNBUCM-UHFFFAOYSA-N | C8H14O2 | 142.2 | 142.09938 | 2.9 | 26.3 | 108 | 0 | 0 | 2 | 6 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
1-BROMO-2-ETHYLBUTANE (STABILIZED WITH COPPER CHIP) | 003814-34-4 | 77,432 | 3-(bromomethyl)pentane | CCC(CC)CBr | InChI=1S/C6H13Br/c1-3-6(4-2)5-7/h6H,3-5H2,1-2H3 | KKGUMGWNFARLSL-UHFFFAOYSA-N | C6H13Br | 165.07 | 164.02006 | 3 | 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 |
1,4-BIS(ETHENYLOXY)BUTANE | 003891-33-6 | 77,501 | 1,4-bis(ethenoxy)butane | C=COCCCCOC=C | InChI=1S/C8H14O2/c1-3-9-7-5-6-8-10-4-2/h3-4H,1-2,5-8H2 | MWZJGRDWJVHRDV-UHFFFAOYSA-N | C8H14O2 | 142.2 | 142.09938 | 2.1 | 18.5 | 77 | 0 | 0 | 2 | 7 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
TRIS(TRIMETHYLSILYL) BORATE | 004325-85-3 | 78,020 | tris(trimethylsilyl) borate | B(O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C | InChI=1S/C9H27BO3Si3/c1-14(2,3)11-10(12-15(4,5)6)13-16(7,8)9/h1-9H3 | YZYKZHPNRDIPFA-UHFFFAOYSA-N | C9H27BO3Si3 | 278.38 | 278.136105 | null | 27.7 | 179 | 0 | 0 | 3 | 6 | 16 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
(3-CHLOROPROPYL)TRIETHOXYSILANE | 005089-70-3 | 78,771 | 3-chloropropyl(triethoxy)silane | CCO[Si](CCCCl)(OCC)OCC | InChI=1S/C9H21ClO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-9H2,1-3H3 | KSCAZPYHLGGNPZ-UHFFFAOYSA-N | C9H21ClO3Si | 240.8 | 240.094849 | null | 27.7 | 118 | 0 | 0 | 3 | 9 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
BROMOMETHOXYMETHANE | 013057-17-5 | 83,093 | bromo(methoxy)methane | COCBr | InChI=1S/C2H5BrO/c1-4-2-3/h2H2,1H3 | JAMFGQBENKSWOF-UHFFFAOYSA-N | C2H5BrO | 124.96 | 123.95238 | 0.9 | 9.2 | 10 | 0 | 0 | 1 | 1 | 4 | null | null | 0 | 1 | 1 | 1 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-METHYL-2-PROPENOIC ACID, 2,2,3,3,3-PENTAFLUOROPROPYL ESTER | 045115-53-5 | 123,516 | 2,2,3,3,3-pentafluoropropyl 2-methylprop-2-enoate | CC(=C)C(=O)OCC(C(F)(F)F)(F)F | InChI=1S/C7H7F5O2/c1-4(2)5(13)14-3-6(8,9)7(10,11)12/h1,3H2,2H3 | CLISWDZSTWQFNX-UHFFFAOYSA-N | C7H7F5O2 | 218.12 | 218.03662 | 2.9 | 26.3 | 243 | 0 | 0 | 7 | 4 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-BUTANOL, TANTALUM(5+) SALT | 051094-78-1 | 170,974 | pentakis(butan-1-olate);tantalum(5+) | CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Ta+5] | InChI=1S/5C4H9O.Ta/c5*1-2-3-4-5;/h5*2-4H2,1H3;/q5*-1;+5 | QORWLRPWMJEJKP-UHFFFAOYSA-N | C20H45O5Ta | 546.5 | 546.2747 | null | 115 | 13 | 0 | 0 | 5 | 10 | 26 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
DI-S-BUTOXYALUMINOXYTRIETHOXYSILANE | 068959-06-8 | 16,684,138 | di(butan-2-yloxy)alumanyl triethyl silicate | CCC(C)O[Al](OC(C)CC)O[Si](OCC)(OCC)OCC | InChI=1S/C6H15O4Si.2C4H9O.Al/c1-4-8-11(7,9-5-2)10-6-3;2*1-3-4(2)5;/h4-6H2,1-3H3;2*4H,3H2,1-2H3;/q3*-1;+3 | MTHHTRVJDXYJHE-UHFFFAOYSA-N | C14H33AlO6Si | 352.47 | 352.186179 | null | 55.4 | 243 | 0 | 0 | 6 | 14 | 22 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-Propynyl acrylate | 010477-47-1 | 82,655 | prop-2-ynyl prop-2-enoate | C=CC(=O)OCC#C | InChI=1S/C6H6O2/c1-3-5-8-6(7)4-2/h1,4H,2,5H2 | WPBNLDNIZUGLJL-UHFFFAOYSA-N | C6H6O2 | 110.11 | 110.036779 | 0.8 | 26.3 | 138 | 0 | 0 | 2 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
5-Trimethylsilyl-4-Pentyn-1-OL | 013224-84-5 | 2,760,861 | 5-trimethylsilylpent-4-yn-1-ol | C[Si](C)(C)C#CCCCO | InChI=1S/C8H16OSi/c1-10(2,3)8-6-4-5-7-9/h9H,4-5,7H2,1-3H3 | LIHAMNSEAAPIRM-UHFFFAOYSA-N | C8H16OSi | 156.3 | 156.097042 | null | 20.2 | 144 | 0 | 1 | 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 |
2,3-DIMETHYLPENTAN-3-OL | 000595-41-5 | 11,685 | 2,3-dimethylpentan-3-ol | CCC(C)(C(C)C)O | InChI=1S/C7H16O/c1-5-7(4,8)6(2)3/h6,8H,5H2,1-4H3 | RFZHJHSNHYIRNE-UHFFFAOYSA-N | C7H16O | 116.2 | 116.120115 | 2 | 20.2 | 68 | 0 | 1 | 1 | 2 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-BROMOHEXANE-D13 | 130131-94-1 | 16,213,277 | 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecadeuteriohexane | [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Br | InChI=1S/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2 | MNDIARAMWBIKFW-UTBWLCBWSA-N | C6H13Br | 178.15 | 177.10166 | 3.8 | 0 | 27 | 0 | 0 | 0 | 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-CHLORO-2-METHYL-2-PROPANOL | 000558-42-9 | 68,409 | 1-chloro-2-methylpropan-2-ol | CC(C)(CCl)O | InChI=1S/C4H9ClO/c1-4(2,6)3-5/h6H,3H2,1-2H3 | JNOZGFXJZQXOSU-UHFFFAOYSA-N | C4H9ClO | 108.57 | 108.034193 | 0.8 | 20.2 | 42 | 0 | 1 | 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 |
1-BROMO-4,4,4-TRIFLUORBUTANE | 000406-81-5 | 521,006 | 4-bromo-1,1,1-trifluorobutane | C(CC(F)(F)F)CBr | InChI=1S/C4H6BrF3/c5-3-1-2-4(6,7)8/h1-3H2 | DBCAQXHNJOFNGC-UHFFFAOYSA-N | C4H6BrF3 | 190.99 | 189.9605 | 2.8 | 0 | 58 | 0 | 0 | 3 | 2 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-IODOBUTANE-D9 | 059012-24-7 | 12,208,645 | 1,1,1,2,2,3,3,4,4-nonadeuterio-4-iodobutane | [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])I | InChI=1S/C4H9I/c1-2-3-4-5/h2-4H2,1H3/i1D3,2D2,3D2,4D2 | KMGBZBJJOKUPIA-YNSOAAEFSA-N | C4H9I | 193.07 | 193.03139 | 3.1 | 0 | 13 | 0 | 0 | 0 | 2 | 5 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
N-HEXANOL D13 | 204244-84-8 | 16,212,921 | 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecadeuteriohexan-1-ol | [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])O | InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2 | ZSIAUFGUXNUGDI-UTBWLCBWSA-N | C6H14O | 115.25 | 115.186063 | 2 | 20.2 | 27 | 0 | 1 | 1 | 4 | 7 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ANTIMONY TRIETHOXIDE | 010433-06-4 | 66,326 | antimony(3+);ethanolate | CC[O-].CC[O-].CC[O-].[Sb+3] | InChI=1S/3C2H5O.Sb/c3*1-2-3;/h3*2H2,1H3;/q3*-1;+3 | JGOJQVLHSPGMOC-UHFFFAOYSA-N | C6H15O3Sb | 256.94 | 256.00593 | null | 69.2 | 2 | 0 | 0 | 3 | 0 | 10 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-(TERT-BUTYLDIMETHYLSILOXY)ETHANOL | 102229-10-7 | 11,137,665 | 2-[tert-butyl(dimethyl)silyl]oxyethanol | CC(C)(C)[Si](C)(C)OCCO | InChI=1S/C8H20O2Si/c1-8(2,3)11(4,5)10-7-6-9/h9H,6-7H2,1-5H3 | YJYAGNPMQVHYAH-UHFFFAOYSA-N | C8H20O2Si | 176.33 | 176.123256 | null | 29.5 | 116 | 0 | 1 | 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 |
(2S)-2-HYDROXYPROPANOIC ACID, METHYL ESTER | 027871-49-4 | 94,386 | methyl (2S)-2-hydroxypropanoate | C[C@@H](C(=O)OC)O | InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m0/s1 | LPEKGGXMPWTOCB-VKHMYHEASA-N | C4H8O3 | 104.1 | 104.047344 | -0.1 | 46.5 | 69 | 0 | 1 | 3 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
1,1-BIS(1,1-DIMETHYLETHOXY)-N,N,N-TRIMETHYLAMINE | 036805-97-7 | 547,712 | N,N-dimethyl-1,1-bis[(2-methylpropan-2-yl)oxy]methanamine | CC(C)(C)OC(N(C)C)OC(C)(C)C | InChI=1S/C11H25NO2/c1-10(2,3)13-9(12(7)8)14-11(4,5)6/h9H,1-8H3 | DBNQIOANXZVWIP-UHFFFAOYSA-N | C11H25NO2 | 203.32 | 203.188529 | 2.2 | 21.7 | 149 | 0 | 0 | 3 | 5 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
4-CHLOROBUTAN-2-ONE | 006322-49-2 | 80,608 | 4-chlorobutan-2-one | CC(=O)CCCl | InChI=1S/C4H7ClO/c1-4(6)2-3-5/h2-3H2,1H3 | MAGOYBJJLVSJIC-UHFFFAOYSA-N | C4H7ClO | 106.55 | 106.018543 | 0.5 | 17.1 | 51 | 0 | 0 | 1 | 2 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TRIISOPROPYLSILYLACETYLENE | 089343-06-6 | 2,734,682 | ethynyl-tri(propan-2-yl)silane | CC(C)[Si](C#C)(C(C)C)C(C)C | InChI=1S/C11H22Si/c1-8-12(9(2)3,10(4)5)11(6)7/h1,9-11H,2-7H3 | KZGWPHUWNWRTEP-UHFFFAOYSA-N | C11H22Si | 182.38 | 182.149077 | null | 0 | 159 | 0 | 0 | 0 | 4 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-BROMO-4-METHOXYBUTANE | 004457-67-4 | 521,168 | 1-bromo-4-methoxybutane | COCCCCBr | InChI=1S/C5H11BrO/c1-7-5-3-2-4-6/h2-5H2,1H3 | ALOQTNHQNMYBDE-UHFFFAOYSA-N | C5H11BrO | 167.04 | 165.99933 | 1.6 | 9.2 | 31 | 0 | 0 | 1 | 4 | 7 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
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