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-PROPEN-1-AMINE, N,N-DIETHYL- | 005666-17-1 | 79,748 | N,N-diethylprop-2-en-1-amine | CCN(CC)CC=C | InChI=1S/C7H15N/c1-4-7-8(5-2)6-3/h4H,1,5-7H2,2-3H3 | JWAJUTZQGZBKFS-UHFFFAOYSA-N | C7H15N | 113.2 | 113.12045 | 1.6 | 3.2 | 55 | 0 | 0 | 1 | 4 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
CHLORO(2-METHYLPROPYL)MAGNESIUM | 005674-02-2 | 4,384,856 | magnesium;2-methanidylpropane;chloride | CC(C)[CH2-].[Mg+2].[Cl-] | InChI=1S/C4H9.ClH.Mg/c1-4(2)3;;/h4H,1H2,2-3H3;1H;/q-1;;+2/p-1 | YSMZEMQBSONIMJ-UHFFFAOYSA-M | C4H9ClMg | 116.87 | 116.02432 | null | 0 | 15 | 0 | 0 | 2 | 0 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SILANE, (ETHENYLOXY)TRIMETHYL- | 006213-94-1 | 80,344 | ethenoxy(trimethyl)silane | C[Si](C)(C)OC=C | InChI=1S/C5H12OSi/c1-5-6-7(2,3)4/h5H,1H2,2-4H3 | HFTNNOZFRQLFQB-UHFFFAOYSA-N | C5H12OSi | 116.23 | 116.065742 | null | 9.2 | 63 | 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 |
BUTANOYL CHLORIDE, 3,3-DIMETHYL- | 007065-46-5 | 81,514 | 3,3-dimethylbutanoyl chloride | CC(C)(C)CC(=O)Cl | InChI=1S/C6H11ClO/c1-6(2,3)4-5(7)8/h4H2,1-3H3 | BUTKIHRNYUEGKB-UHFFFAOYSA-N | C6H11ClO | 134.6 | 134.049843 | 2.4 | 17.1 | 91 | 0 | 0 | 1 | 2 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ETHANE, 1-CHLORO-1-ETHOXY- | 007081-78-9 | 23,478 | 1-chloro-1-ethoxyethane | CCOC(C)Cl | InChI=1S/C4H9ClO/c1-3-6-4(2)5/h4H,3H2,1-2H3 | URGLIMIKUNFFMT-UHFFFAOYSA-N | C4H9ClO | 108.57 | 108.034193 | 1.6 | 9.2 | 30 | 0 | 0 | 1 | 2 | 6 | null | null | 0 | 1 | 1 | 1 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-PROPYN-1-AMINE, N,N-DIMETHYL- | 007223-38-3 | 81,643 | N,N-dimethylprop-2-yn-1-amine | CN(C)CC#C | InChI=1S/C5H9N/c1-4-5-6(2)3/h1H,5H2,2-3H3 | ILBIXZPOMJFOJP-UHFFFAOYSA-N | C5H9N | 83.13 | 83.073499 | 0.4 | 3.2 | 65 | 0 | 0 | 1 | 1 | 6 | null | null | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
BUTANE, 2,3-DICHLORO- | 007581-97-7 | 24,233 | 2,3-dichlorobutane | CC(C(C)Cl)Cl | InChI=1S/C4H8Cl2/c1-3(5)4(2)6/h3-4H,1-2H3 | RMISVOPUIFJTEO-UHFFFAOYSA-N | C4H8Cl2 | 127.01 | 126.000306 | 2.3 | 0 | 30 | 0 | 0 | 0 | 1 | 6 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
SILANE, TRICHLORO(1-CHLOROETHYL)- | 007787-82-8 | 97,643 | trichloro(1-chloroethyl)silane | CC([Si](Cl)(Cl)Cl)Cl | InChI=1S/C2H4Cl4Si/c1-2(3)7(4,5)6/h2H,1H3 | CAPIMQICDAJXSB-UHFFFAOYSA-N | C2H4Cl4Si | 197.9 | 197.880687 | null | 0 | 57 | 0 | 0 | 0 | 0 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SILANE, (1-CHLOROETHYL)TRIMETHYL- | 007787-87-3 | 111,035 | 1-chloroethyl(trimethyl)silane | CC([Si](C)(C)C)Cl | InChI=1S/C5H13ClSi/c1-5(6)7(2,3)4/h5H,1-4H3 | UWJVDEZZIPJQRF-UHFFFAOYSA-N | C5H13ClSi | 136.69 | 136.047505 | null | 0 | 55 | 0 | 0 | 0 | 1 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Acetaldehyde, 2-methoxy- | 010312-83-1 | 91,563 | 2-methoxyacetaldehyde | COCC=O | InChI=1S/C3H6O2/c1-5-3-2-4/h2H,3H2,1H3 | YSEFYOVWKJXNCH-UHFFFAOYSA-N | C3H6O2 | 74.08 | 74.036779 | -0.4 | 26.3 | 26 | 0 | 0 | 2 | 2 | 5 | null | null | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
PEROXIDE, BIS(1,1-DIMETHYLPROPYL) | 010508-09-5 | 25,320 | 2-methyl-2-(2-methylbutan-2-ylperoxy)butane | CCC(C)(C)OOC(C)(C)CC | InChI=1S/C10H22O2/c1-7-9(3,4)11-12-10(5,6)8-2/h7-8H2,1-6H3 | JJRDRFZYKKFYMO-UHFFFAOYSA-N | C10H22O2 | 174.28 | 174.16198 | 3.1 | 18.5 | 112 | 0 | 0 | 2 | 5 | 12 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 |
ALUMINUM, DI-.MU.-CHLOROCHLOROTRIETHYLDI- | 012075-68-2 | 25,508 | chloro(diethyl)alumane;dichloro(ethyl)alumane | CC[Al](CC)Cl.CC[Al](Cl)Cl | InChI=1S/3C2H5.2Al.3ClH/c3*1-2;;;;;/h3*1H2,2H3;;;3*1H/q;;;+1;+2;;;/p-3 | LDXMUMPEDOQULK-UHFFFAOYSA-K | C6H15Al2Cl3 | 247.5 | 245.98701 | null | 0 | 48 | 0 | 0 | 0 | 2 | 11 | -4 °F (-20 °C) (CLOSED CUP) | 399 °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 |
Silane, ethoxydimethyl- | 014857-34-2 | 61,772 | ethoxy(dimethyl)silane | CCO[SiH](C)C | InChI=1S/C4H12OSi/c1-4-5-6(2)3/h6H,4H2,1-3H3 | XZFFGKZBTQABBO-UHFFFAOYSA-N | C4H12OSi | 104.22 | 104.065742 | null | 9.2 | 28 | 0 | 0 | 1 | 2 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
4-HEPTANAMINE | 016751-59-0 | 38,665 | heptan-4-amine | CCCC(CCC)N | InChI=1S/C7H17N/c1-3-5-7(8)6-4-2/h7H,3-6,8H2,1-2H3 | CLJMMQGDJNYDER-UHFFFAOYSA-N | C7H17N | 115.22 | 115.1361 | 1.9 | 26 | 37 | 0 | 1 | 1 | 4 | 8 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PROPANAMIDE, 3-(DIMETHYLAMINO)-N,N-DIMETHYL- | 017268-47-2 | 62,711 | 3-(dimethylamino)-N,N-dimethylpropanamide | CN(C)CCC(=O)N(C)C | InChI=1S/C7H16N2O/c1-8(2)6-5-7(10)9(3)4/h5-6H2,1-4H3 | ZCJKJJQMCWSWGZ-UHFFFAOYSA-N | C7H16N2O | 144.21 | 144.126263 | -0.3 | 23.6 | 110 | 0 | 0 | 2 | 3 | 10 | null | null | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SILANE, CHLORODIMETHYLPROPYL- | 017477-29-1 | 87,130 | chloro-dimethyl-propylsilane | CCC[Si](C)(C)Cl | InChI=1S/C5H13ClSi/c1-4-5-7(2,3)6/h4-5H2,1-3H3 | HXVPUKPVLPTVCQ-UHFFFAOYSA-N | C5H13ClSi | 136.69 | 136.047505 | null | 0 | 52 | 0 | 0 | 0 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PHOSPHONIUM, TETRABUTYL-, ACETATE, COMPD. WITH ACETIC ACID (1:1) | 017786-43-5 | 87,304 | acetic acid;tetrabutylphosphanium;acetate | CCCC[P+](CCCC)(CCCC)CCCC.CC(=O)O.CC(=O)[O-] | InChI=1S/C16H36P.2C2H4O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*1-2(3)4/h5-16H2,1-4H3;2*1H3,(H,3,4)/q+1;;/p-1 | BZPUUPVCWNNZKW-UHFFFAOYSA-M | C20H43O4P | 378.5 | 378.289897 | null | 77.4 | 173 | 0 | 1 | 4 | 12 | 25 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
SILANE, TRIMETHYL(2-PROPENYLOXY)- | 018146-00-4 | 87,471 | trimethyl(prop-2-enoxy)silane | C[Si](C)(C)OCC=C | InChI=1S/C6H14OSi/c1-5-6-7-8(2,3)4/h5H,1,6H2,2-4H3 | MNMVKGDEKPPREK-UHFFFAOYSA-N | C6H14OSi | 130.26 | 130.081392 | null | 9.2 | 73 | 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 |
SILANAMINE, 1-CHLORO-N,N,1,1-TETRAMETHYL- | 018209-60-4 | 87,511 | N-[chloro(dimethyl)silyl]-N-methylmethanamine | CN(C)[Si](C)(C)Cl | InChI=1S/C4H12ClNSi/c1-6(2)7(3,4)5/h1-4H3 | CFZHOUYDAHXRLY-UHFFFAOYSA-N | C4H12ClNSi | 137.68 | 137.042754 | null | 3.2 | 62 | 0 | 0 | 1 | 1 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SILANE, TRIETHENYLMETHYL- | 018244-95-6 | 87,525 | tris(ethenyl)-methylsilane | C[Si](C=C)(C=C)C=C | InChI=1S/C7H12Si/c1-5-8(4,6-2)7-3/h5-7H,1-3H2,4H3 | PKRKCDBTXBGLKV-UHFFFAOYSA-N | C7H12Si | 124.25 | 124.070827 | null | 0 | 91 | 0 | 0 | 0 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
SILANE, [[(CHLOROMETHYL)DIMETHYLSILYL]METHYL]TRIMETHYL- | 018306-73-5 | 87,574 | chloromethyl-dimethyl-(trimethylsilylmethyl)silane | C[Si](C)(C)C[Si](C)(C)CCl | InChI=1S/C7H19ClSi2/c1-9(2,3)7-10(4,5)6-8/h6-7H2,1-5H3 | WBZTYASEAQTKBK-UHFFFAOYSA-N | C7H19ClSi2 | 194.85 | 194.071381 | null | 0 | 105 | 0 | 0 | 0 | 3 | 10 | null | null | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1-HEXENE, 3,3,4,4,5,5,6,6,6-NONAFLUORO- | 019430-93-4 | 88,054 | 3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene | C=CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F | InChI=1S/C6H3F9/c1-2-3(7,8)4(9,10)5(11,12)6(13,14)15/h2H,1H2 | GVEUEBXMTMZVSD-UHFFFAOYSA-N | C6H3F9 | 246.07 | 246.009104 | 4 | 0 | 248 | 0 | 0 | 9 | 3 | 15 | -17 °C c.c. | 58 °C | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1,2-PROPANEDIAMINE, N2,N2-DIMETHYL- | 019764-58-0 | 89,217 | 2-N,2-N-dimethylpropane-1,2-diamine | CC(CN)N(C)C | InChI=1S/C5H14N2/c1-5(4-6)7(2)3/h5H,4,6H2,1-3H3 | WNLWBCIUNCAMPH-UHFFFAOYSA-N | C5H14N2 | 102.18 | 102.115699 | -0.2 | 29.3 | 43 | 0 | 1 | 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 |
2-PROPANAMINE, N-ETHYL- | 019961-27-4 | 88,318 | N-ethylpropan-2-amine | CCNC(C)C | InChI=1S/C5H13N/c1-4-6-5(2)3/h5-6H,4H2,1-3H3 | RIVIDPPYRINTTH-UHFFFAOYSA-N | C5H13N | 87.16 | 87.104799 | 0.9 | 12 | 25 | 0 | 1 | 1 | 2 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1-PROPANAMINE, N-ETHYL- | 020193-20-8 | 88,398 | N-ethylpropan-1-amine | CCCNCC | InChI=1S/C5H13N/c1-3-5-6-4-2/h6H,3-5H2,1-2H3 | XCVNDBIXFPGMIW-UHFFFAOYSA-N | C5H13N | 87.16 | 87.104799 | 1.1 | 12 | 19 | 0 | 1 | 1 | 3 | 6 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-BUTYNE, 3-CHLORO- | 021020-24-6 | 30,443 | 3-chlorobut-1-yne | CC(C#C)Cl | InChI=1S/C4H5Cl/c1-3-4(2)5/h1,4H,2H3 | PZFBULOUMNPBFA-UHFFFAOYSA-N | C4H5Cl | 88.53 | 88.007978 | 1.3 | 0 | 57 | 0 | 0 | 0 | 0 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1-OCTENE, 3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUORO- | 025291-17-2 | 91,384 | 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene | C=CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F | InChI=1S/C8H3F13/c1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h2H,1H2 | FYQFWFHDPNXORA-UHFFFAOYSA-N | C8H3F13 | 346.09 | 346.002716 | 5.3 | 0 | 401 | 0 | 0 | 13 | 5 | 21 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 |
N,N-DIMETHYL-N-[3-(TRIMETHOXYSILYL)PROPYL]-1-OCTADECANAMINIUM, CHLORIDE | 027668-52-6 | 62,827 | dimethyl-octadecyl-(3-trimethoxysilylpropyl)azanium chloride | CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC.[Cl-] | InChI=1S/C26H58NO3Si.ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(2,3)25-23-26-31(28-4,29-5)30-6;/h7-26H2,1-6H3;1H/q+1;/p-1 | WSFMFXQNYPNYGG-UHFFFAOYSA-M | C26H58ClNO3Si | 496.3 | 495.387449 | null | 27.7 | 367 | 0 | 0 | 4 | 24 | 32 | 15 °C | null | 1 | 1 | 1 | 1 | 0 | 1 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PROPANOIC ACID, 3-MERCAPTO-, ISOOCTYL ESTER | 030374-01-7 | 104,386 | 6-methylheptyl 3-sulfanylpropanoate | CC(C)CCCCCOC(=O)CCS | InChI=1S/C11H22O2S/c1-10(2)6-4-3-5-8-13-11(12)7-9-14/h10,14H,3-9H2,1-2H3 | ZHUWXKIPGGZNJW-UHFFFAOYSA-N | C11H22O2S | 218.36 | 218.134051 | 3.5 | 27.3 | 146 | 0 | 1 | 3 | 9 | 14 | null | null | 1 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
SILANE, BIS(1,1-DIMETHYLETHYL)- | 030736-07-3 | 2,758,052 | ditert-butylsilane | CC(C)(C)[SiH2]C(C)(C)C | InChI=1S/C8H20Si/c1-7(2,3)9-8(4,5)6/h9H2,1-6H3 | ZLKSBZCITVUTSN-UHFFFAOYSA-N | C8H20Si | 144.33 | 144.133427 | null | 0 | 69 | 0 | 0 | 0 | 2 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1-BUTANOL, 2-METHYL-, FORMATE | 035073-27-9 | 118,210 | 2-methylbutyl formate | CCC(C)COC=O | InChI=1S/C6H12O2/c1-3-6(2)4-8-5-7/h5-6H,3-4H2,1-2H3 | DWORILFBIRYUDC-UHFFFAOYSA-N | C6H12O2 | 116.16 | 116.08373 | 1.8 | 26.3 | 61 | 0 | 0 | 2 | 4 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
(T-4)-HYDROTRIS(1-METHYLPROPYL)BORATE(1-) LITHIUM | 038721-52-7 | 23,664,288 | null | [Li+].[B-](C(C)CC)(C(C)CC)C(C)CC | InChI=1S/C12H27B.Li/c1-7-10(4)13(11(5)8-2)12(6)9-3;/h10-12H,7-9H2,1-6H3;/q-1;+1 | LXGCMJBNHPPNBQ-UHFFFAOYSA-N | C12H27BLi | 189.1 | 189.236585 | null | 0 | 104 | 0 | 0 | 1 | 3 | 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, 3,3,4,4,4-PENTAFLUORO- | 054949-74-5 | 108,644 | 3,3,4,4,4-pentafluorobutan-1-ol | C(CO)C(C(F)(F)F)(F)F | InChI=1S/C4H5F5O/c5-3(6,1-2-10)4(7,8)9/h10H,1-2H2 | JPMHUDBOKDBBLG-UHFFFAOYSA-N | C4H5F5O | 164.07 | 164.026056 | 1.7 | 20.2 | 107 | 0 | 1 | 6 | 2 | 10 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-BUTANAMINE, 1-METHOXY- | 063448-63-5 | 93,837 | 1-methoxybutan-2-amine | CCC(COC)N | InChI=1S/C5H13NO/c1-3-5(6)4-7-2/h5H,3-4,6H2,1-2H3 | QAFODUGVXFNLBE-UHFFFAOYSA-N | C5H13NO | 103.16 | 103.099714 | 0.1 | 35.3 | 39 | 0 | 1 | 2 | 3 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
HEXANOIC ACID, 2-ETHYL-, TETRAANHYDRIDE WITH SILICIC ACID (H4SIO4) | 067939-81-5 | 106,984 | tris(2-ethylhexanoyloxy)silyl 2-ethylhexanoate | CCCCC(CC)C(=O)O[Si](OC(=O)C(CC)CCCC)(OC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC | InChI=1S/C32H60O8Si/c1-9-17-21-25(13-5)29(33)37-41(38-30(34)26(14-6)22-18-10-2,39-31(35)27(15-7)23-19-11-3)40-32(36)28(16-8)24-20-12-4/h25-28H,9-24H2,1-8H3 | UNKOLEUDCQIVBV-UHFFFAOYSA-N | C32H60O8Si | 600.9 | 600.405745 | null | 105 | 630 | 0 | 0 | 8 | 28 | 41 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 |
METHYLMAGNESIUM BROMIDE | 000075-16-1 | 6,349 | magnesium;carbanide;bromide | [CH3-].[Mg+2].[Br-] | InChI=1S/CH3.BrH.Mg/h1H3;1H;/q-1;;+2/p-1 | NXPHGHWWQRMDIA-UHFFFAOYSA-M | CH3BrMg | 119.24 | 117.92685 | null | 0 | 4 | 0 | 0 | 2 | 0 | 3 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
DI(ETHYLMETHYLKETOXIME)METHOXYMETHYLSILANE | 083817-72-5 | 91,844,531 | (E)-N-[[(Z)-butan-2-ylideneamino]oxy-methoxy-methylsilyl]oxybutan-2-imine | CC/C(=N/O[Si](C)(OC)O/N=C(/C)\CC)/C | InChI=1S/C10H22N2O3Si/c1-7-9(3)11-14-16(6,13-5)15-12-10(4)8-2/h7-8H2,1-6H3/b11-9-,12-10+ | WBUXMJIQDHBCAY-DSOJMZEYSA-N | C10H22N2O3Si | 246.38 | 246.139969 | null | 52.4 | 245 | 0 | 0 | 5 | 7 | 16 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
ALLYLMAGNESIUM BROMIDE | 001730-25-2 | 74,413 | magnesium;prop-1-ene;bromide | [CH2-]C=C.[Mg+2].[Br-] | InChI=1S/C3H5.BrH.Mg/c1-3-2;;/h3H,1-2H2;1H;/q-1;;+2/p-1 | DQEUYIQDSMINEY-UHFFFAOYSA-M | C3H5BrMg | 145.28 | 143.9425 | 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 |
(TRIMETHYLSILYL)DIAZOMETHANE | 018107-18-1 | 167,693 | diazomethyl(trimethyl)silane | C[Si](C)(C)C=[N+]=[N-] | InChI=1S/C4H10N2Si/c1-7(2,3)4-6-5/h4H,1-3H3 | ONDSBJMLAHVLMI-UHFFFAOYSA-N | C4H10N2Si | 114.22 | 114.061325 | null | 2 | 96 | 0 | 0 | 1 | 1 | 7 | null | 96 °C at 775 mm Hg | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 |
TRIMETHLYLSILYLMETHYL(LITHIUM) | 001822-00-0 | 3,482,579 | lithium methanidyl(trimethyl)silane | [Li+].C[Si](C)(C)[CH2-] | InChI=1S/C4H11Si.Li/c1-5(2,3)4;/h1H2,2-4H3;/q-1;+1 | KVWLUDFGXDFFON-UHFFFAOYSA-N | C4H11LiSi | 94.2 | 94.079005 | null | 0 | 29 | 0 | 0 | 1 | 0 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
DIISOBUTYL ETHER (COALESCING SOLVENT) | 000628-55-7 | 12,346 | 2-methyl-1-(2-methylpropoxy)propane | CC(C)COCC(C)C | InChI=1S/C8H18O/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3 | SZNYYWIUQFZLLT-UHFFFAOYSA-N | C8H18O | 130.23 | 130.135765 | 2.8 | 9.2 | 49 | 0 | 0 | 1 | 4 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
N,N',N"-TRIBUTYL-1-METHYLSILANETRIAMINE | 016411-33-9 | 85,403 | N-[bis(butylamino)-methylsilyl]butan-1-amine | CCCCN[Si](C)(NCCCC)NCCCC | InChI=1S/C13H33N3Si/c1-5-8-11-14-17(4,15-12-9-6-2)16-13-10-7-3/h14-16H,5-13H2,1-4H3 | GJQSLHYMHWQOQY-UHFFFAOYSA-N | C13H33N3Si | 259.51 | 259.244375 | null | 36.1 | 138 | 0 | 3 | 3 | 12 | 17 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
tert-Butylmagnesium Chloride | 000677-22-5 | 2,724,198 | magnesium;2-methylpropane;chloride | C[C-](C)C.[Mg+2].[Cl-] | InChI=1S/C4H9.ClH.Mg/c1-4(2)3;;/h1-3H3;1H;/q-1;;+2/p-1 | CQRPUKWAZPZXTO-UHFFFAOYSA-M | C4H9ClMg | 116.87 | 116.02432 | null | 0 | 12 | 0 | 0 | 2 | 0 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
BROMOETHYNYLMAGNESIUM | 004301-14-8 | 4,071,243 | magnesium;ethyne;bromide | C#[C-].[Mg+2].[Br-] | InChI=1S/C2H.BrH.Mg/c1-2;;/h1H;1H;/q-1;;+2/p-1 | LROBJRRFCPYLIT-UHFFFAOYSA-M | C2HBrMg | 129.24 | 127.9112 | null | 0 | 14 | 0 | 0 | 2 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-PROPANOL, DYSPROSIUM(3+) SALT | 006742-68-3 | 13,033,546 | dysprosium(3+);tris(propan-2-olate) | CC(C)[O-].CC(C)[O-].CC(C)[O-].[Dy+3] | InChI=1S/3C3H7O.Dy/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3 | XPEKDHWAGKXPST-UHFFFAOYSA-N | C9H21DyO3 | 339.76 | 341.07825 | null | 69.2 | 10 | 0 | 0 | 3 | 0 | 13 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 |
C7-10-ISOALKANES | 090622-56-3 | 11,511 | 2,4-dimethylhexane | CCC(C)CC(C)C | InChI=1S/C8H18/c1-5-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3 | HDGQICNBXPAKLR-UHFFFAOYSA-N | C8H18 | 114.23 | 114.140851 | 4 | 0 | 46 | 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 |
DILITHIUM TETRACHLOROCUPRATE | 015489-27-7 | 11,074,879 | dilithium;tetrachlorocopper(2-) | [Li+].[Li+].Cl[Cu-2](Cl)(Cl)Cl | InChI=1S/4ClH.Cu.2Li/h4*1H;;;/q;;;;+2;2*+1/p-4 | HCJWWBBBSCXJMS-UHFFFAOYSA-J | Cl4CuLi2 | 219.3 | 218.834065 | null | 0 | 19 | 0 | 0 | 1 | 0 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
2-METHYLHEPTANE | 000592-27-8 | 11,594 | 2-methylheptane | CCCCCC(C)C | InChI=1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3 | JVSWJIKNEAIKJW-UHFFFAOYSA-N | C8H18 | 114.23 | 114.140851 | 4.3 | 0 | 37 | 0 | 0 | 0 | 4 | 8 | 4.4 °C | 116 °C | 1 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2,2,3-TRIMETHYLPENTANE | 000564-02-3 | 11,255 | 2,2,3-trimethylpentane | CCC(C)C(C)(C)C | InChI=1S/C8H18/c1-6-7(2)8(3,4)5/h7H,6H2,1-5H3 | XTDQDBVBDLYELW-UHFFFAOYSA-N | C8H18 | 114.23 | 114.140851 | 3.8 | 0 | 56 | 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-ETHYLPENTANE | 000617-78-7 | 12,048 | 3-ethylpentane | CCC(CC)CC | InChI=1S/C7H16/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3 | AORMDLNPRGXHHL-UHFFFAOYSA-N | C7H16 | 100.2 | 100.125201 | 3.7 | 0 | 21 | 0 | 0 | 0 | 3 | 7 | null | null | 1 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2,2-DIMETHYLHEXANE | 000590-73-8 | 11,551 | 2,2-dimethylhexane | CCCCC(C)(C)C | InChI=1S/C8H18/c1-5-6-7-8(2,3)4/h5-7H2,1-4H3 | FLTJDUOFAQWHDF-UHFFFAOYSA-N | C8H18 | 114.23 | 114.140851 | 4.1 | 0 | 47 | 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 |
2,3-DIMETHYLHEXANE | 000584-94-1 | 11,447 | 2,3-dimethylhexane | CCCC(C)C(C)C | InChI=1S/C8H18/c1-5-6-8(4)7(2)3/h7-8H,5-6H2,1-4H3 | JXPOLSKBTUYKJB-UHFFFAOYSA-N | C8H18 | 114.23 | 114.140851 | 4 | 0 | 46 | 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 |
BROMO(1-METHYLETHYL)MAGNESIUM | 000920-39-8 | 101,909 | magnesium;propane;bromide | C[CH-]C.[Mg+2].[Br-] | InChI=1S/C3H7.BrH.Mg/c1-3-2;;/h3H,1-2H3;1H;/q-1;;+2/p-1 | LVKCSZQWLOVUGB-UHFFFAOYSA-M | C3H7BrMg | 147.3 | 145.95815 | 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 |
MOLYBDENUM(V) ISOPROPOXIDE | 209733-38-0 | 18,475,294 | molybdenum;pentakis(propan-2-olate) | CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Mo] | InChI=1S/5C3H7O.Mo/c5*1-3(2)4;/h5*3H,1-2H3;/q5*-1; | WMGOKFNZAFRBMJ-UHFFFAOYSA-N | C15H35MoO5-5 | 391.4 | 393.153853 | null | 115 | 10 | -5 | 0 | 5 | 0 | 21 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
MOLYBDENUM(V) TRICHLORIDE-ISOPROPOXIDE | 053780-81-7 | 121,233,634 | bis(propan-2-ol);trichloromolybdenum | CC(C)O.CC(C)O.Cl[Mo](Cl)Cl | InChI=1S/2C3H8O.3ClH.Mo/c2*1-3(2)4;;;;/h2*3-4H,1-2H3;3*1H;/q;;;;;+3/p-3 | JVWWBSIISOXHDE-UHFFFAOYSA-K | C6H16Cl3MoO2 | 322.5 | 322.926991 | null | 40.5 | 63 | 0 | 2 | 2 | 0 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
3,3-DIMETHYLHEXANE | 000563-16-6 | 11,233 | 3,3-dimethylhexane | CCCC(C)(C)CC | InChI=1S/C8H18/c1-5-7-8(3,4)6-2/h5-7H2,1-4H3 | KUMXLFIBWFCMOJ-UHFFFAOYSA-N | C8H18 | 114.23 | 114.140851 | 4.1 | 0 | 53 | 0 | 0 | 0 | 3 | 8 | null | 111.90 °C. @ 760.00 mm Hg | 1 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
LITHIUM NIOBIUM ETHOXIDE | 086745-52-0 | 14,693,679 | lithium;ethanolate;niobium(5+) | [Li+].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[Nb+5] | InChI=1S/6C2H5O.Li.Nb/c6*1-2-3;;/h6*2H2,1H3;;/q6*-1;+1;+5 | AVEKRHJBCCYCED-UHFFFAOYSA-N | C12H30LiNbO6 | 370.2 | 370.12662 | null | 138 | 2 | 0 | 0 | 6 | 0 | 20 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
3-Hexene, 3-(p-methoxybenzyl)-4-(p-methoxyphenyl)-, mixed with 4-(p-methoxyben | null | 11,601 | hex-3-ene | CCC=CCC | InChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3 | ZQDPJFUHLCOCRG-UHFFFAOYSA-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 |
1,2-DICHLOROETHANE | 000107-06-2 | 11 | 1,2-dichloroethane | C(CCl)Cl | InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2 | WSLDOOZREJYCGB-UHFFFAOYSA-N | C2H4Cl2 | 98.96 | 97.969006 | 1.5 | 0 | 6 | 0 | 0 | 0 | 1 | 4 | 56 °F (NTP, 1992) | 182.3 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
CARBON DISULFIDE | 000075-15-0 | 6,348 | methanedithione | C(=S)=S | InChI=1S/CS2/c2-1-3 | QGJOPFRUJISHPQ-UHFFFAOYSA-N | CS2 | 76.15 | 75.944142 | 2.1 | 64.2 | 18 | 0 | 0 | 2 | 0 | 3 | -22 °F (EPA, 1998) | 116 °F at 760 mmHg (EPA, 1998) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 1 | 0 |
PENTANE | 000109-66-0 | 8,003 | pentane | CCCCC | InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3 | OFBQJSOFQDEBGM-UHFFFAOYSA-N | C5H12 | 72.15 | 72.0939 | 3.4 | 0 | 7 | 0 | 0 | 0 | 2 | 5 | -57 °F (NTP, 1992) | 97 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
2-CHLOROPROPANE | 000075-29-6 | 6,361 | 2-chloropropane | CC(C)Cl | InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3 | ULYZAYCEDJDHCC-UHFFFAOYSA-N | C3H7Cl | 78.54 | 78.023628 | 1.6 | 0 | 10 | 0 | 0 | 0 | 0 | 4 | -26 °F (NTP, 1992) | 96.33 °F at 760 mmHg (NTP, 1992) | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PROPYL CHLOROFORMATE | 000109-61-5 | 7,998 | propyl carbonochloridate | CCCOC(=O)Cl | InChI=1S/C4H7ClO2/c1-2-3-7-4(5)6/h2-3H2,1H3 | QQKDTTWZXHEGAQ-UHFFFAOYSA-N | C4H7ClO2 | 122.55 | 122.013457 | 2.3 | 26.3 | 62 | 0 | 0 | 2 | 3 | 7 | -58 °F (EPA, 1998) | 237 to 241 °F at 760 mmHg (EPA, 1998) | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
HEXANETHIOIC ACID, S-METHYL ESTER | 002432-77-1 | 75,515 | S-methyl hexanethioate | CCCCCC(=O)SC | InChI=1S/C7H14OS/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3 | AKGAHYLJHAOPKQ-UHFFFAOYSA-N | C7H14OS | 146.25 | 146.076536 | 2.6 | 42.4 | 81 | 0 | 0 | 2 | 5 | 9 | null | 120.00 to 122.00 °C. @ 0.00 mm Hg | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
N,N-DIMETHYLETHYLAMINE | 000598-56-1 | 11,723 | N,N-dimethylethanamine | CCN(C)C | InChI=1S/C4H11N/c1-4-5(2)3/h4H2,1-3H3 | DAZXVJBJRMWXJP-UHFFFAOYSA-N | C4H11N | 73.14 | 73.089149 | 0.7 | 3.2 | 17 | 0 | 0 | 1 | 1 | 5 | 10 °F | 36.5 °C | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ETHYLENE GLYCOL DIMETHYL ETHER | 000110-71-4 | 8,071 | 1,2-dimethoxyethane | COCCOC | InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3 | XTHFKEDIFFGKHM-UHFFFAOYSA-N | C4H10O2 | 90.12 | 90.06808 | -0.2 | 18.5 | 17 | 0 | 0 | 2 | 3 | 6 | 32 °F (NTP, 1992) | 185 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 |
2-METHYLPENTANE | 000107-83-5 | 7,892 | 2-methylpentane | CCCC(C)C | InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3 | AFABGHUZZDYHJO-UHFFFAOYSA-N | C6H14 | 86.18 | 86.10955 | 3.2 | 0 | 21 | 0 | 0 | 0 | 2 | 6 | -20 °F (USCG, 1999) | 140.5 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
VALERALDEHYDE | 000110-62-3 | 8,063 | pentanal | CCCCC=O | InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3 | HGBOYTHUEUWSSQ-UHFFFAOYSA-N | C5H10O | 86.13 | 86.073165 | 1.1 | 17.1 | 32 | 0 | 0 | 1 | 3 | 6 | 53.6 °F (NTP, 1992) | 216 to 217 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
ISOAMYL NITRITE | 000110-46-3 | 8,053 | 3-methylbutyl nitrite | CC(C)CCON=O | InChI=1S/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H3 | OWFXIOWLTKNBAP-UHFFFAOYSA-N | C5H11NO2 | 117.15 | 117.078979 | 1.7 | 38.7 | 63 | 0 | 0 | 3 | 3 | 8 | less than 69 °F (NTP, 1992) | 205 to 210 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1-PROPANETHIOL | 000107-03-9 | 7,848 | propane-1-thiol | CCCS | InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3 | SUVIGLJNEAMWEG-UHFFFAOYSA-N | C3H8S | 76.16 | 76.034671 | 1.8 | 1 | 7 | 0 | 1 | 1 | 1 | 4 | 5 °F (USCG, 1999) | 153 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
METHYL DISULFIDE | 000624-92-0 | 12,232 | (methyldisulfanyl)methane | CSSC | InChI=1S/C2H6S2/c1-3-4-2/h1-2H3 | WQOXQRCZOLPYPM-UHFFFAOYSA-N | C2H6S2 | 94.2 | 93.991093 | 1.8 | 50.6 | 6 | 0 | 0 | 2 | 1 | 4 | 76 °F (NTP, 1992) | 229.5 °F at 760 mmHg (NTP, 1992) | 1 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 |
ISOPROPYL ALCOHOL | 000067-63-0 | 3,776 | propan-2-ol | CC(C)O | InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3 | KFZMGEQAYNKOFK-UHFFFAOYSA-N | C3H8O | 60.1 | 60.057515 | 0.3 | 20.2 | 10 | 0 | 1 | 1 | 0 | 4 | 53 °F (NTP, 1992) | 180.5 °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 |
NITROUS ACID, 1-METHYLETHYL ESTER | 000541-42-4 | 10,929 | propan-2-yl nitrite | CC(C)ON=O | InChI=1S/C3H7NO2/c1-3(2)6-4-5/h3H,1-2H3 | SKRDXYBATCVEMS-UHFFFAOYSA-N | C3H7NO2 | 89.09 | 89.047678 | 0.8 | 38.7 | 44 | 0 | 0 | 3 | 1 | 6 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
TERT-BUTYL PEROXIDE | 000110-05-4 | 8,033 | 2-tert-butylperoxy-2-methylpropane | CC(C)(C)OOC(C)(C)C | InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3 | LSXWFXONGKSEMY-UHFFFAOYSA-N | C8H18O2 | 146.23 | 146.13068 | 2.1 | 18.5 | 80 | 0 | 0 | 2 | 3 | 10 | 65 °F (NTP, 1992) | 232 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 |
METHYL ISOBUTYL KETONE | 000108-10-1 | 7,909 | 4-methylpentan-2-one | CC(C)CC(=O)C | InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3 | NTIZESTWPVYFNL-UHFFFAOYSA-N | C6H12O | 100.16 | 100.088815 | 1.3 | 17.1 | 64 | 0 | 0 | 1 | 2 | 7 | 73 °F (NTP, 1992) | 243 to 244 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
1,2-DICHLOROPROPANE | 000078-87-5 | 6,564 | 1,2-dichloropropane | CC(CCl)Cl | InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3 | KNKRKFALVUDBJE-UHFFFAOYSA-N | C3H6Cl2 | 112.98 | 111.984656 | 1.8 | 0 | 20 | 0 | 0 | 0 | 1 | 5 | 60 °F (NTP, 1992) | 203 to 205 °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 |
VINYL ACETATE | 000108-05-4 | 7,904 | ethenyl acetate | CC(=O)OC=C | InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3 | XTXRWKRVRITETP-UHFFFAOYSA-N | C4H6O2 | 86.09 | 86.036779 | 0.7 | 26.3 | 65 | 0 | 0 | 2 | 2 | 6 | 18 °F (EPA, 1998) | 162 to 163 °F at 760 mmHg (EPA, 1998) | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
N-BUTYRALDEHYDE | 000123-72-8 | 261 | butanal | CCCC=O | InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3 | ZTQSAGDEMFDKMZ-UHFFFAOYSA-N | C4H8O | 72.11 | 72.057515 | 0.9 | 17.1 | 24 | 0 | 0 | 1 | 2 | 5 | 20 °F (NTP, 1992) | 167 °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 |
DIMETHYLVINYL CHLORIDE | 000513-37-1 | 10,555 | 1-chloro-2-methylprop-1-ene | CC(=CCl)C | InChI=1S/C4H7Cl/c1-4(2)3-5/h3H,1-2H3 | KWISWUFGPUHDRY-UHFFFAOYSA-N | C4H7Cl | 90.55 | 90.023628 | 2.3 | 0 | 41 | 0 | 0 | 0 | 0 | 5 | 30 °F (NTP, 1992) | 154 °F at 760 mmHg (NTP, 1992) | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
METHANOL | 000067-56-1 | 887 | methanol | CO | InChI=1S/CH4O/c1-2/h2H,1H3 | OKKJLVBELUTLKV-UHFFFAOYSA-N | CH4O | 32.042 | 32.026215 | -0.5 | 20.2 | 2 | 0 | 1 | 1 | 0 | 2 | 52 °F (NTP, 1992) | 148.3 °F at 760 mmHg (NTP, 1992) | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
DIMETHYL CARBONATE | 000616-38-6 | 12,021 | dimethyl carbonate | COC(=O)OC | InChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3 | IEJIGPNLZYLLBP-UHFFFAOYSA-N | C3H6O3 | 90.08 | 90.031694 | 0.5 | 35.5 | 44 | 0 | 0 | 3 | 2 | 6 | 31 °F (NFPA, 2010) | 90.5 °C | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2,4,4-TRIMETHYL-1-PENTENE | 000107-39-1 | 7,868 | 2,4,4-trimethylpent-1-ene | CC(=C)CC(C)(C)C | InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3 | FXNDIJDIPNCZQJ-UHFFFAOYSA-N | C8H16 | 112.21 | 112.125201 | 3.7 | 0 | 82 | 0 | 0 | 0 | 2 | 8 | -5 °C | 101.4 °C | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ACRYLONITRILE | 000107-13-1 | 7,855 | prop-2-enenitrile | C=CC#N | InChI=1S/C3H3N/c1-2-3-4/h2H,1H2 | NLHHRLWOUZZQLW-UHFFFAOYSA-N | C3H3N | 53.06 | 53.026549 | 0.2 | 23.8 | 54 | 0 | 0 | 1 | 0 | 4 | 32 °F (EPA, 1998) | 171 °F at 760 mmHg (EPA, 1998) | 0 | 1 | 1 | 1 | 0 | 1 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
ETHYL ACRYLATE | 000140-88-5 | 8,821 | ethyl prop-2-enoate | CCOC(=O)C=C | InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3 | JIGUQPWFLRLWPJ-UHFFFAOYSA-N | C5H8O2 | 100.12 | 100.05243 | 1.3 | 26.3 | 76 | 0 | 0 | 2 | 3 | 7 | 48 °F (NTP, 1992) | 211.6 °F at 760 mmHg (NTP, 1992) | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
ISOPROPYL ETHER | 000108-20-3 | 7,914 | 2-propan-2-yloxypropane | CC(C)OC(C)C | InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3 | ZAFNJMIOTHYJRJ-UHFFFAOYSA-N | C6H14O | 102.17 | 102.104465 | 1.5 | 9.2 | 33 | 0 | 0 | 1 | 2 | 7 | -18 °F (USCG, 1999) | 156 °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 | 1 |
TERT-BUTYLAMINE | 000075-64-9 | 6,385 | 2-methylpropan-2-amine | CC(C)(C)N | InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3 | YBRBMKDOPFTVDT-UHFFFAOYSA-N | C4H11N | 73.14 | 73.089149 | 0.3 | 26 | 25 | 0 | 1 | 1 | 0 | 5 | 50 °F (NTP, 1992) | 111.9 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
METHYLACRYLONITRILE | 000126-98-7 | 31,368 | 2-methylprop-2-enenitrile | CC(=C)C#N | InChI=1S/C4H5N/c1-4(2)3-5/h1H2,2H3 | GYCMBHHDWRMZGG-UHFFFAOYSA-N | C4H5N | 67.09 | 67.042199 | 0.7 | 23.8 | 83 | 0 | 0 | 1 | 0 | 5 | 55 °F (EPA, 1998) | 194 °F at 760 mmHg (EPA, 1998) | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
ETHYLENEDIAMINE | 000107-15-3 | 3,301 | ethane-1,2-diamine | C(CN)N | InChI=1S/C2H8N2/c3-1-2-4/h1-4H2 | PIICEJLVQHRZGT-UHFFFAOYSA-N | C2H8N2 | 60.1 | 60.068748 | -2 | 52 | 6 | 0 | 2 | 2 | 1 | 4 | 93 °F (EPA, 1998) | 241 °F at 760 mmHg (EPA, 1998) | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 0 |
ETHYLENE GLYCOL MONOETHYL ETHER | 000110-80-5 | 8,076 | 2-ethoxyethanol | CCOCCO | InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3 | ZNQVEEAIQZEUHB-UHFFFAOYSA-N | C4H10O2 | 90.12 | 90.06808 | -0.3 | 29.5 | 21 | 0 | 1 | 2 | 3 | 6 | 105 °F (NTP, 1992) | 275 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 |
2-ETHOXYETHYL ACETATE | 000111-15-9 | 8,095 | 2-ethoxyethyl acetate | CCOCCOC(=O)C | InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3 | SVONRAPFKPVNKG-UHFFFAOYSA-N | C6H12O3 | 132.16 | 132.078644 | 0.3 | 35.5 | 80 | 0 | 0 | 3 | 5 | 9 | 135 °F (NTP, 1992) | 313 °F at 760 mmHg (NTP, 1992) | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 |
ETHYL IODIDE | 000075-03-6 | 6,340 | iodoethane | CCI | InChI=1S/C2H5I/c1-2-3/h2H2,1H3 | HVTICUPFWKNHNG-UHFFFAOYSA-N | C2H5I | 155.97 | 155.9436 | 2.1 | 0 | 2 | 0 | 0 | 0 | 0 | 3 | 61 °C c.c. | 72 °C | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 1 |
1,3-DIBROMO-2-PROPANOL | 000096-21-9 | 7,287 | 1,3-dibromopropan-2-ol | C(C(CBr)O)Br | InChI=1S/C3H6Br2O/c4-1-3(6)2-5/h3,6H,1-2H2 | KIHQZLPHVZKELA-UHFFFAOYSA-N | C3H6Br2O | 217.89 | 217.87649 | 1.1 | 20.2 | 28 | 0 | 1 | 1 | 2 | 6 | null | null | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
N-VALERONITRILE | 000110-59-8 | 8,061 | pentanenitrile | CCCCC#N | InChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3 | RFFFKMOABOFIDF-UHFFFAOYSA-N | C5H9N | 83.13 | 83.073499 | 1.1 | 23.8 | 57 | 0 | 0 | 1 | 2 | 6 | 105 °F (NTP, 1992) | 282 to 286 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ETHYLENE GLYCOL MONOMETHYL ETHER | 000109-86-4 | 8,019 | 2-methoxyethanol | COCCO | InChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3 | XNWFRZJHXBZDAG-UHFFFAOYSA-N | C3H8O2 | 76.09 | 76.052429 | -0.8 | 29.5 | 14 | 0 | 1 | 2 | 2 | 5 | 107 °F (NTP, 1992) | 257 °F at 768 mmHg (NTP, 1992) | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 |
1,3-DICHLOROPROPENE | 000542-75-6 | 24,883 | 1,3-dichloroprop-1-ene | C(C=CCl)Cl | InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2 | UOORRWUZONOOLO-UHFFFAOYSA-N | C3H4Cl2 | 110.97 | 109.969006 | 1.7 | 0 | 31 | 0 | 0 | 0 | 1 | 5 | 95 °F (NTP, 1992) | 219 °F at 760 mmHg (NTP, 1992) | 1 | 1 | 1 | 1 | 1 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
DIETHYLAMINOETHANOL | 000100-37-8 | 7,497 | 2-(diethylamino)ethanol | CCN(CC)CCO | InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3 | BFSVOASYOCHEOV-UHFFFAOYSA-N | C6H15NO | 117.19 | 117.115364 | 0.3 | 23.5 | 43 | 0 | 1 | 2 | 4 | 8 | 140 °F (NTP, 1992) | 325 °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 |
HYDRAZINE | 000302-01-2 | 9,321 | hydrazine | NN | InChI=1S/H4N2/c1-2/h1-2H2 | OAKJQQAXSVQMHS-UHFFFAOYSA-N | H4N2 | 32.046 | 32.037448 | -1.5 | 52 | 0 | 0 | 2 | 2 | 0 | 2 | 125.6 °F (EPA, 1998) | 236.3 °F at 760 mmHg (EPA, 1998) | 1 | 1 | 1 | 1 | 0 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
2-NITROPROPANE | 000079-46-9 | 398 | 2-nitropropane | CC(C)[N+](=O)[O-] | InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3 | FGLBSLMDCBOPQK-UHFFFAOYSA-N | C3H7NO2 | 89.09 | 89.047678 | 0.8 | 45.8 | 54 | 0 | 0 | 2 | 0 | 6 | 75 °F (NTP, 1992) | 248.5 °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 |
NONANE | 000111-84-2 | 8,141 | nonane | CCCCCCCCC | InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3 | BKIMMITUMNQMOS-UHFFFAOYSA-N | C9H20 | 128.25 | 128.156501 | 4.5 | 0 | 33 | 0 | 0 | 0 | 6 | 9 | 88 °F (NTP, 1992) | 303.4 °F at 760 mmHg (NTP, 1992) | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PROPYLENEDIAMINE | 000078-90-0 | 6,567 | propane-1,2-diamine | CC(CN)N | InChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3 | AOHJOMMDDJHIJH-UHFFFAOYSA-N | C3H10N2 | 74.13 | 74.084398 | -1.2 | 52 | 20 | 0 | 2 | 2 | 1 | 5 | 92 °F (NFPA, 2010) | 248.9 °F at 760 mmHg (NTP, 1992) | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
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