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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ACETONE-D6 | 000666-52-4 | 522,220 | 1,1,1,3,3,3-hexadeuteriopropan-2-one | [2H]C([2H])([2H])C(=O)C([2H])([2H])[2H] | InChI=1S/C3H6O/c1-3(2)4/h1-2H3/i1D3,2D3 | CSCPPACGZOOCGX-WFGJKAKNSA-N | C3H6O | 64.12 | 64.079525 | -0.1 | 17.1 | 26 | 0 | 0 | 1 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
ISOBUTYL IODIDE | 000513-38-2 | 10,556 | 1-iodo-2-methylpropane | CC(C)CI | InChI=1S/C4H9I/c1-4(2)3-5/h4H,3H2,1-2H3 | BTUGGGLMQBJCBN-UHFFFAOYSA-N | C4H9I | 184.02 | 183.9749 | 2.8 | 0 | 17 | 0 | 0 | 0 | 1 | 5 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1,1-DIMETHOXY-N,N-DIMETHYLMETHANAMINE | 004637-24-5 | 78,373 | 1,1-dimethoxy-N,N-dimethylmethanamine | CN(C)C(OC)OC | InChI=1S/C5H13NO2/c1-6(2)5(7-3)8-4/h5H,1-4H3 | ZSXGLVDWWRXATF-UHFFFAOYSA-N | C5H13NO2 | 119.16 | 119.094629 | 0.2 | 21.7 | 52 | 0 | 0 | 3 | 3 | 8 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
BIS(TRIMETHYLSILYL)TRIFLUOROACETAMIDE | 025561-30-2 | 94,358 | trimethylsilyl 2,2,2-trifluoro-N-trimethylsilylethanimidate | C[Si](C)(C)N=C(C(F)(F)F)O[Si](C)(C)C | InChI=1S/C8H18F3NOSi2/c1-14(2,3)12-7(8(9,10)11)13-15(4,5)6/h1-6H3 | XCOBLONWWXQEBS-UHFFFAOYSA-N | C8H18F3NOSi2 | 257.4 | 257.087902 | null | 21.6 | 250 | 0 | 0 | 5 | 3 | 15 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1,2-BIS(DIMETHYLPHOSPHINO)ETHANE | 023936-60-9 | 141,059 | 2-dimethylphosphanylethyl(dimethyl)phosphane | CP(C)CCP(C)C | InChI=1S/C6H16P2/c1-7(2)5-6-8(3)4/h5-6H2,1-4H3 | ZKWQSBFSGZJNFP-UHFFFAOYSA-N | C6H16P2 | 150.14 | 150.072725 | -0.4 | 0 | 42 | 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 |
2-IODOBUTANE | 000513-48-4 | 10,559 | 2-iodobutane | CCC(C)I | InChI=1S/C4H9I/c1-3-4(2)5/h4H,3H2,1-2H3 | IQRUSQUYPCHEKN-UHFFFAOYSA-N | C4H9I | 184.02 | 183.9749 | 2.8 | 0 | 19 | 0 | 0 | 0 | 1 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-METHOXYETHYLAMINE | 000109-85-3 | 8,018 | 2-methoxyethanamine | COCCN | InChI=1S/C3H9NO/c1-5-3-2-4/h2-4H2,1H3 | ASUDFOJKTJLAIK-UHFFFAOYSA-N | C3H9NO | 75.11 | 75.068414 | -0.9 | 35.3 | 16 | 0 | 1 | 2 | 2 | 5 | null | null | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ALLYL IODIDE | 000556-56-9 | 11,166 | 3-iodoprop-1-ene | C=CCI | InChI=1S/C3H5I/c1-2-3-4/h2H,1,3H2 | HFEHLDPGIKPNKL-UHFFFAOYSA-N | C3H5I | 167.98 | 167.9436 | 2.1 | 0 | 17 | 0 | 0 | 0 | 1 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
4-BROMO-1-BUTENE | 005162-44-7 | 21,241 | 4-bromobut-1-ene | C=CCCBr | InChI=1S/C4H7Br/c1-2-3-4-5/h2H,1,3-4H2 | DMAYBPBPEUFIHJ-UHFFFAOYSA-N | C4H7Br | 135 | 133.97311 | 2.1 | 0 | 24 | 0 | 0 | 0 | 2 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 1 |
PROPARGYLAMINE | 002450-71-7 | 239,041 | prop-2-yn-1-amine | C#CCN | InChI=1S/C3H5N/c1-2-3-4/h1H,3-4H2 | JKANAVGODYYCQF-UHFFFAOYSA-N | C3H5N | 55.08 | 55.042199 | -0.4 | 26 | 38 | 0 | 1 | 1 | 0 | 4 | null | null | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TRIMETHYL ORTHOFORMATE, ANHYDROUS | 000149-73-5 | 9,005 | trimethoxymethane | COC(OC)OC | InChI=1S/C4H10O3/c1-5-4(6-2)7-3/h4H,1-3H3 | PYOKUURKVVELLB-UHFFFAOYSA-N | C4H10O3 | 106.12 | 106.062994 | 0.2 | 27.7 | 28 | 0 | 0 | 3 | 3 | 7 | null | 100.6 °C @ 760 MM HG | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
HEXAMETHYLDISILOXANE | 000107-46-0 | 24,764 | trimethyl(trimethylsilyloxy)silane | C[Si](C)(C)O[Si](C)(C)C | InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3 | UQEAIHBTYFGYIE-UHFFFAOYSA-N | C6H18OSi2 | 162.38 | 162.089618 | null | 9.2 | 76 | 0 | 0 | 1 | 2 | 9 | -30 °C | 99 °C | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1,1-DICHLOROPROPENE | 000563-58-6 | 11,245 | 1,1-dichloroprop-1-ene | CC=C(Cl)Cl | InChI=1S/C3H4Cl2/c1-2-3(4)5/h2H,1H3 | ZAIDIVBQUMFXEC-UHFFFAOYSA-N | C3H4Cl2 | 110.97 | 109.969006 | 2.6 | 0 | 42 | 0 | 0 | 0 | 0 | 5 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
THIOLACETIC ACID | 000507-09-5 | 10,484 | ethanethioic S-acid | CC(=O)S | InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4) | DUYAAUVXQSMXQP-UHFFFAOYSA-N | C2H4OS | 76.12 | 75.998286 | 0.3 | 18.1 | 33 | 0 | 1 | 2 | 0 | 4 | null | 88.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
2-CHLORO-2-METHYLBUTANE | 000594-36-5 | 61,143 | 2-chloro-2-methylbutane | CCC(C)(C)Cl | InChI=1S/C5H11Cl/c1-4-5(2,3)6/h4H2,1-3H3 | CRNIHJHMEQZAAS-UHFFFAOYSA-N | C5H11Cl | 106.59 | 106.054928 | 2.5 | 0 | 39 | 0 | 0 | 0 | 1 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
3-CHLORO-2-METHYLPROPENE | 000563-47-3 | 11,241 | 3-chloro-2-methylprop-1-ene | CC(=C)CCl | InChI=1S/C4H7Cl/c1-4(2)3-5/h1,3H2,2H3 | OHXAOPZTJOUYKM-UHFFFAOYSA-N | C4H7Cl | 90.55 | 90.023628 | 2.1 | 0 | 38 | 0 | 0 | 0 | 1 | 5 | 9 °F (NTP, 1992) | 160 to 162 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
ALLYL ETHER | 000557-40-4 | 11,194 | 3-prop-2-enoxyprop-1-ene | C=CCOCC=C | InChI=1S/C6H10O/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2 | ATVJXMYDOSMEPO-UHFFFAOYSA-N | C6H10O | 98.14 | 98.073165 | 1.4 | 9.2 | 49 | 0 | 0 | 1 | 4 | 7 | 20 °F (NFPA, 2010) | 94 °C | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-METHYL-2-PROPAN(OL,D) | 003972-25-6 | 517,695 | 2-deuteriooxy-2-methylpropane | [2H]OC(C)(C)C | InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3/i5D | DKGAVHZHDRPRBM-UICOGKGYSA-N | C4H10O | 75.13 | 75.079442 | 0.5 | 20.2 | 25 | 0 | 1 | 1 | 0 | 5 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
5-CHLORO-1-PENTYNE | 014267-92-6 | 84,308 | 5-chloropent-1-yne | C#CCCCCl | InChI=1S/C5H7Cl/c1-2-3-4-5-6/h1H,3-5H2 | UXFIKVWAAMKFQE-UHFFFAOYSA-N | C5H7Cl | 102.56 | 102.023628 | 1.8 | 0 | 57 | 0 | 0 | 0 | 2 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2,4-DIMETHYL-3-PENTANONE | 000565-80-0 | 11,271 | 2,4-dimethylpentan-3-one | CC(C)C(=O)C(C)C | InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3 | HXVNBWAKAOHACI-UHFFFAOYSA-N | C7H14O | 114.19 | 114.104465 | 1.9 | 17.1 | 72 | 0 | 0 | 1 | 2 | 8 | null | 125.40 °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 |
METHYLTRIMETHOXYSILANE | 001185-55-3 | 14,456 | trimethoxy(methyl)silane | CO[Si](C)(OC)OC | InChI=1S/C4H12O3Si/c1-5-8(4,6-2)7-3/h1-4H3 | BFXIKLCIZHOAAZ-UHFFFAOYSA-N | C4H12O3Si | 136.22 | 136.055571 | null | 27.7 | 54 | 0 | 0 | 3 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
ACRYLYL CHLORIDE | 000814-68-6 | 13,140 | prop-2-enoyl chloride | C=CC(=O)Cl | InChI=1S/C3H3ClO/c1-2-3(4)5/h2H,1H2 | HFBMWMNUJJDEQZ-UHFFFAOYSA-N | C3H3ClO | 90.51 | 89.987242 | 1.4 | 17.1 | 57 | 0 | 0 | 1 | 1 | 5 | 14 °C (57 °F) - closed cup | 167 °F at 760 mmHg (EPA, 1998) | 1 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1-CHLORO-3-METHYL-2-BUTENE | 000503-60-6 | 10,429 | 1-chloro-3-methylbut-2-ene | CC(=CCCl)C | InChI=1S/C5H9Cl/c1-5(2)3-4-6/h3H,4H2,1-2H3 | JKXQKGNGJVZKFA-UHFFFAOYSA-N | C5H9Cl | 104.58 | 104.039278 | 2.3 | 0 | 51 | 0 | 0 | 0 | 1 | 6 | null | 109 °C @ 760 MM HG | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ISOBUTYLAMINE | 000078-81-9 | 6,558 | 2-methylpropan-1-amine | CC(C)CN | InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3 | KDSNLYIMUZNERS-UHFFFAOYSA-N | C4H11N | 73.14 | 73.089149 | 0.7 | 26 | 17 | 0 | 1 | 1 | 1 | 5 | 15 °F (NTP, 1992) | 154 to 156 °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 | 1 |
TETRAVINYLSILANE | 001112-55-6 | 66,188 | tetrakis(ethenyl)silane | C=C[Si](C=C)(C=C)C=C | InChI=1S/C8H12Si/c1-5-9(6-2,7-3)8-4/h5-8H,1-4H2 | UFHILTCGAOPTOV-UHFFFAOYSA-N | C8H12Si | 136.27 | 136.070827 | null | 0 | 107 | 0 | 0 | 0 | 4 | 9 | null | null | 1 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 1 |
METHACROLEIN | 000078-85-3 | 6,562 | 2-methylprop-2-enal | CC(=C)C=O | InChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3 | STNJBCKSHOAVAJ-UHFFFAOYSA-N | C4H6O | 70.09 | 70.041865 | 0.7 | 17.1 | 54 | 0 | 0 | 1 | 1 | 5 | 35 °F (NFPA, 2010) | 68.4 °C | 1 | 1 | 1 | 1 | 0 | 0 | 1 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TRIETHYLSILANE | 000617-86-7 | 12,052 | triethylsilane | CC[SiH](CC)CC | InChI=1S/C6H16Si/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3 | AQRLNPVMDITEJU-UHFFFAOYSA-N | C6H16Si | 116.28 | 116.102127 | null | 0 | 25 | 0 | 0 | 0 | 3 | 7 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
3,3-DIETHYLPENTANE | 001067-20-5 | 14,020 | 3,3-diethylpentane | CCC(CC)(CC)CC | InChI=1S/C9H20/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3 | BGXXXYLRPIRDHJ-UHFFFAOYSA-N | C9H20 | 128.25 | 128.156501 | 4.7 | 0 | 42 | 0 | 0 | 0 | 4 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
TETRAKIS(DIETHYLAMINO)TITANIUM | 004419-47-0 | 123,216 | tetrakis(diethylazanide);titanium(4+) | CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.[Ti+4] | InChI=1S/4C4H10N.Ti/c4*1-3-5-4-2;/h4*3-4H2,1-2H3;/q4*-1;+4 | VJDVOZLYDLHLSM-UHFFFAOYSA-N | C16H40N4Ti | 336.38 | 336.273238 | null | 4 | 74 | 0 | 0 | 4 | 8 | 21 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
N,N-DIETHYLTRIMETHYLSILYLAMINE | 000996-50-9 | 70,454 | N-ethyl-N-trimethylsilylethanamine | CCN(CC)[Si](C)(C)C | InChI=1S/C7H19NSi/c1-6-8(7-2)9(3,4)5/h6-7H2,1-5H3 | JOOMLFKONHCLCJ-UHFFFAOYSA-N | C7H19NSi | 145.32 | 145.128676 | null | 3.2 | 71 | 0 | 0 | 1 | 3 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
BUTYRYL CHLORIDE | 000141-75-3 | 8,855 | butanoyl chloride | CCCC(=O)Cl | InChI=1S/C4H7ClO/c1-2-3-4(5)6/h2-3H2,1H3 | DVECBJCOGJRVPX-UHFFFAOYSA-N | C4H7ClO | 106.55 | 106.018543 | 1.6 | 17.1 | 51 | 0 | 0 | 1 | 2 | 6 | 71 °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 | 1 | 0 | 0 | 0 |
TETRAMETHYLGERMANIUM | 000865-52-1 | 70,079 | tetramethylgermane | C[Ge](C)(C)C | InChI=1S/C4H12Ge/c1-5(2,3)4/h1-4H3 | ZRLCXMPFXYVHGS-UHFFFAOYSA-N | C4H12Ge | 132.77 | 134.015078 | null | 0 | 19 | 0 | 0 | 0 | 0 | 5 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
OCTANE-D18 | 017252-77-6 | 519,375 | 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecadeuteriooctane | [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] | InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2 | TVMXDCGIABBOFY-VAZJTQEUSA-N | C8H18 | 132.34 | 132.253832 | 3.9 | 0 | 25 | 0 | 0 | 0 | 5 | 8 | null | null | 1 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PIPERYLENE | 000504-60-9 | 62,204 | (3E)-penta-1,3-diene | C/C=C/C=C | InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+ | PMJHHCWVYXUKFD-SNAWJCMRSA-N | C5H8 | 68.12 | 68.0626 | 2.4 | 0 | 42 | 0 | 0 | 0 | 1 | 5 | -20 °F (USCG, 1999) | 109 °F at 760 mmHg (NFPA, 2010) | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1-FLUOROHEPTANE | 000661-11-0 | 12,619 | 1-fluoroheptane | CCCCCCCF | InChI=1S/C7H15F/c1-2-3-4-5-6-7-8/h2-7H2,1H3 | BITLXSQYFZTQGC-UHFFFAOYSA-N | C7H15F | 118.19 | 118.115779 | 3.9 | 0 | 35 | 0 | 0 | 1 | 5 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2,2,4,4-TETRAMETHYLPENTANE | 001070-87-7 | 14,058 | 2,2,4,4-tetramethylpentane | CC(C)(C)CC(C)(C)C | InChI=1S/C9H20/c1-8(2,3)7-9(4,5)6/h7H2,1-6H3 | GUMULFRCHLJNDY-UHFFFAOYSA-N | C9H20 | 128.25 | 128.156501 | 4.2 | 0 | 65 | 0 | 0 | 0 | 2 | 9 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
3-BROMOPENTANE | 001809-10-5 | 15,738 | 3-bromopentane | CCC(CC)Br | InChI=1S/C5H11Br/c1-3-5(6)4-2/h5H,3-4H2,1-2H3 | VTOQFOCYBTVOJZ-UHFFFAOYSA-N | C5H11Br | 151.04 | 150.00441 | 2.8 | 0 | 23 | 0 | 0 | 0 | 2 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-BROMO-2-FLUOROETHANE | 000762-49-2 | 12,982 | 1-bromo-2-fluoroethane | C(CBr)F | InChI=1S/C2H4BrF/c3-1-2-4/h1-2H2 | JTLAIKFGRHDNQM-UHFFFAOYSA-N | C2H4BrF | 126.96 | 125.94804 | 1.3 | 0 | 10 | 0 | 0 | 1 | 1 | 4 | null | 71-72 °C at 760 mm Hg | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
DIMETHYLAMINOSULFUR TRIFLUORIDE | 003880-03-3 | 123,203 | N-methyl-N-(trifluoro-lambda4-sulfanyl)methanamine | CN(C)S(F)(F)F | InChI=1S/C2H6F3NS/c1-6(2)7(3,4)5/h1-2H3 | SAVQQRYWWAGSQW-UHFFFAOYSA-N | C2H6F3NS | 133.14 | 133.017305 | 2.8 | 4.2 | 58 | 0 | 0 | 5 | 0 | 7 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
HEXAMETHYLDISILANE | 001450-14-2 | 74,057 | trimethyl(trimethylsilyl)silane | C[Si](C)(C)[Si](C)(C)C | InChI=1S/C6H18Si2/c1-7(2,3)8(4,5)6/h1-6H3 | NEXSMEBSBIABKL-UHFFFAOYSA-N | C6H18Si2 | 146.38 | 146.094704 | null | 0 | 61 | 0 | 0 | 0 | 1 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 1 |
2-CHLOROETHYL METHYL ETHER | 000627-42-9 | 12,316 | 1-chloro-2-methoxyethane | COCCCl | InChI=1S/C3H7ClO/c1-5-3-2-4/h2-3H2,1H3 | XTIGGAHUZJWQMD-UHFFFAOYSA-N | C3H7ClO | 94.54 | 94.018543 | 0.7 | 9.2 | 16 | 0 | 0 | 1 | 2 | 5 | null | 92-93 °C | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2,3-DIMETHYL-1,3-BUTADIENE | 000513-81-5 | 10,566 | 2,3-dimethylbuta-1,3-diene | CC(=C)C(=C)C | InChI=1S/C6H10/c1-5(2)6(3)4/h1,3H2,2,4H3 | SDJHPPZKZZWAKF-UHFFFAOYSA-N | C6H10 | 82.14 | 82.07825 | 3.1 | 0 | 66 | 0 | 0 | 0 | 1 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-METHYL PENTENE-1 | 000763-29-1 | 12,986 | 2-methylpent-1-ene | CCCC(=C)C | InChI=1S/C6H12/c1-4-5-6(2)3/h2,4-5H2,1,3H3 | WWUVJRULCWHUSA-UHFFFAOYSA-N | C6H12 | 84.16 | 84.0939 | 3 | 0 | 44 | 0 | 0 | 0 | 2 | 6 | -15 °F (est.) (USCG, 1999) | 143.8 °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 |
3-METHYLHEXANE | 000589-34-4 | 11,507 | 3-methylhexane | CCCC(C)CC | InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3 | VLJXXKKOSFGPHI-UHFFFAOYSA-N | C7H16 | 100.2 | 100.125201 | 3.7 | 0 | 31 | 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 |
2,3-DIMETHYLPENTANE | 000565-59-3 | 11,260 | 2,3-dimethylpentane | CCC(C)C(C)C | InChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3 | WGECXQBGLLYSFP-UHFFFAOYSA-N | C7H16 | 100.2 | 100.125201 | 3.4 | 0 | 37 | 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 |
3-METHYLHEPTANE | 000589-81-1 | 11,519 | 3-methylheptane | CCCCC(C)CC | InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3 | LAIUFBWHERIJIH-UHFFFAOYSA-N | C8H18 | 114.23 | 114.140851 | 4.3 | 0 | 39 | 0 | 0 | 0 | 4 | 8 | null | 118.00 °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 |
2,2,5-TRIMETHYLHEXANE | 003522-94-9 | 19,041 | 2,2,5-trimethylhexane | CC(C)CCC(C)(C)C | InChI=1S/C9H20/c1-8(2)6-7-9(3,4)5/h8H,6-7H2,1-5H3 | HHOSMYBYIHNXNO-UHFFFAOYSA-N | C9H20 | 128.25 | 128.156501 | 4.4 | 0 | 64 | 0 | 0 | 0 | 3 | 9 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2,4,4-TRIMETHYL-2-PENTENE | 000107-40-4 | 7,869 | 2,4,4-trimethylpent-2-ene | CC(=CC(C)(C)C)C | InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3 | LAAVYEUJEMRIGF-UHFFFAOYSA-N | C8H16 | 112.21 | 112.125201 | 3.6 | 0 | 87 | 0 | 0 | 0 | 1 | 8 | 1.7 °C | 104.9 °C | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-PENTENE | 000109-68-2 | 12,585 | pent-2-ene | CCC=CC | InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3 | QMMOXUPEWRXHJS-UHFFFAOYSA-N | C5H10 | 70.13 | 70.07825 | 2.1 | 0 | 27 | 0 | 0 | 0 | 1 | 5 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-METHYL-3-BUTYN-2-OL | 000115-19-5 | 8,258 | 2-methylbut-3-yn-2-ol | CC(C)(C#C)O | InChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3 | CEBKHWWANWSNTI-UHFFFAOYSA-N | C5H8O | 84.12 | 84.057515 | 0.3 | 20.2 | 83 | 0 | 1 | 1 | 1 | 6 | 77 °F (USCG, 1999) | 219.2 to 221 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 1 |
2-PENTYNE | 000627-21-4 | 12,310 | pent-2-yne | CCC#CC | InChI=1S/C5H8/c1-3-5-4-2/h3H2,1-2H3 | NKTDTMONXHODTI-UHFFFAOYSA-N | C5H8 | 68.12 | 68.0626 | 1.9 | 0 | 58 | 0 | 0 | 0 | 0 | 5 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
HEXACHLORODISILOXANE | 014986-21-1 | 84,745 | trichloro(trichlorosilyloxy)silane | O([Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl | InChI=1S/Cl6OSi2/c1-8(2,3)7-9(4,5)6 | QHAHOIWVGZZELU-UHFFFAOYSA-N | Cl6OSi2 | 284.9 | 283.758934 | null | 9.2 | 76 | 0 | 0 | 1 | 0 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ETHYLTRICHLOROSILANE | 000115-21-9 | 8,260 | trichloro(ethyl)silane | CC[Si](Cl)(Cl)Cl | InChI=1S/C2H5Cl3Si/c1-2-6(3,4)5/h2H2,1H3 | ZOYFEXPFPVDYIS-UHFFFAOYSA-N | C2H5Cl3Si | 163.5 | 161.92261 | null | 0 | 38 | 0 | 0 | 0 | 0 | 6 | 72 °F (EPA, 1998) | 208 °F at 760 mmHg (EPA, 1998) | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ETHYL ALCOHOL-D | 000925-93-9 | 123,093 | deuteriooxyethane | [2H]OCC | InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i3D | LFQSCWFLJHTTHZ-WFVSFCRTSA-N | C2H6O | 47.07 | 47.048142 | -0.1 | 20.2 | 2 | 0 | 1 | 1 | 0 | 3 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
SODIUM ISOPROPOXIDE | 000683-60-3 | 10,920,443 | sodium propan-2-olate | CC(C)[O-].[Na+] | InChI=1S/C3H7O.Na/c1-3(2)4;/h3H,1-2H3;/q-1;+1 | WBQTXTBONIWRGK-UHFFFAOYSA-N | C3H7NaO | 82.08 | 82.039459 | null | 23.1 | 14 | 0 | 0 | 1 | 0 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TRIMETHYLACETALDEHYDE | 000630-19-3 | 12,417 | 2,2-dimethylpropanal | CC(C)(C)C=O | InChI=1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3 | FJJYHTVHBVXEEQ-UHFFFAOYSA-N | C5H10O | 86.13 | 86.073165 | 1.1 | 17.1 | 49 | 0 | 0 | 1 | 1 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
S-ETHYL TRIFLUOROTHIOACETATE | 000383-64-2 | 67,844 | S-ethyl 2,2,2-trifluoroethanethioate | CCSC(=O)C(F)(F)F | InChI=1S/C4H5F3OS/c1-2-9-3(8)4(5,6)7/h2H2,1H3 | VGGUKFAVHPGNBF-UHFFFAOYSA-N | C4H5F3OS | 158.14 | 158.00132 | 2.1 | 42.4 | 109 | 0 | 0 | 5 | 2 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TERT-BUTYL CHLORIDE | 000507-20-0 | 10,486 | 2-chloro-2-methylpropane | CC(C)(C)Cl | InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3 | NBRKLOOSMBRFMH-UHFFFAOYSA-N | C4H9Cl | 92.57 | 92.039278 | 1.8 | 0 | 25 | 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 |
ETHYL TRIFLUOROACETATE | 000383-63-1 | 9,794 | ethyl 2,2,2-trifluoroacetate | CCOC(=O)C(F)(F)F | InChI=1S/C4H5F3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3 | STSCVKRWJPWALQ-UHFFFAOYSA-N | C4H5F3O2 | 142.08 | 142.024164 | 1.2 | 26.3 | 107 | 0 | 0 | 5 | 2 | 9 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2,2-DIMETHYLPROPANENITRILE | 000630-18-2 | 12,416 | 2,2-dimethylpropanenitrile | CC(C)(C)C#N | InChI=1S/C5H9N/c1-5(2,3)4-6/h1-3H3 | JAMNHZBIQDNHMM-UHFFFAOYSA-N | C5H9N | 83.13 | 83.073499 | 1.1 | 23.8 | 77 | 0 | 0 | 1 | 0 | 6 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TRIMETHYLGALLIUM | 001445-79-0 | 15,051 | trimethylgallane | C[Ga](C)C | InChI=1S/3CH3.Ga/h3*1H3; | XCZXGTMEAKBVPV-UHFFFAOYSA-N | C3H9Ga | 114.83 | 113.996 | null | 0 | 8 | 0 | 0 | 0 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
VINYLMAGNESIUM CHLORIDE | 003536-96-7 | 77,075 | magnesium;ethene;chloride | C=[CH-].[Mg+2].[Cl-] | InChI=1S/C2H3.ClH.Mg/c1-2;;/h1H,2H2;1H;/q-1;;+2/p-1 | IJMWREDHKRHWQI-UHFFFAOYSA-M | C2H3ClMg | 86.8 | 85.97737 | null | 0 | 6 | 0 | 0 | 2 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
CHLOROMETHYL METHYL SULFIDE | 002373-51-5 | 16,916 | chloro(methylsulfanyl)methane | CSCCl | InChI=1S/C2H5ClS/c1-4-2-3/h2H2,1H3 | JWMLCCRPDOIBAV-UHFFFAOYSA-N | C2H5ClS | 96.58 | 95.980049 | 1.6 | 25.3 | 10 | 0 | 0 | 1 | 1 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-HEPTENE | 000592-77-8 | 11,611 | hept-2-ene | CCCCC=CC | InChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3 | OTTZHAVKAVGASB-UHFFFAOYSA-N | C7H14 | 98.19 | 98.10955 | 3.2 | 0 | 44 | 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 |
SEC-BUTYLAMINE | 013952-84-6 | 24,874 | butan-2-amine | CCC(C)N | InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3 | BHRZNVHARXXAHW-UHFFFAOYSA-N | C4H11N | 73.14 | 73.089149 | 0.6 | 26 | 19 | 0 | 1 | 1 | 1 | 5 | 15 °F (NTP, 1992) | 146.3 °F at 760 mmHg (NTP, 1992) | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1,1-DIMETHOXYETHANE | 000534-15-6 | 10,795 | 1,1-dimethoxyethane | CC(OC)OC | InChI=1S/C4H10O2/c1-4(5-2)6-3/h4H,1-3H3 | SPEUIVXLLWOEMJ-UHFFFAOYSA-N | C4H10O2 | 90.12 | 90.06808 | 0.5 | 18.5 | 24 | 0 | 0 | 2 | 2 | 6 | BELOW 80 °F | 64.5 °C | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
VINYL PROPIONATE | 000105-38-4 | 7,750 | ethenyl propanoate | CCC(=O)OC=C | InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1H3 | UIWXSTHGICQLQT-UHFFFAOYSA-N | C5H8O2 | 100.12 | 100.05243 | 1.1 | 26.3 | 76 | 0 | 0 | 2 | 3 | 7 | null | null | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TERT-BUTYL BROMIDE | 000507-19-7 | 10,485 | 2-bromo-2-methylpropane | CC(C)(C)Br | InChI=1S/C4H9Br/c1-4(2,3)5/h1-3H3 | RKSOPLXZQNSWAS-UHFFFAOYSA-N | C4H9Br | 137.02 | 135.98876 | 2 | 0 | 25 | 0 | 0 | 0 | 0 | 5 | 18.3 °C | 73.3 °C | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-CHLOROBUTANE | 000078-86-4 | 6,563 | 2-chlorobutane | CCC(C)Cl | InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3 | BSPCSKHALVHRSR-UHFFFAOYSA-N | C4H9Cl | 92.57 | 92.039278 | 2.3 | 0 | 19 | 0 | 0 | 0 | 1 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-BROMOPENTANE | 000107-81-3 | 7,890 | 2-bromopentane | CCCC(C)Br | InChI=1S/C5H11Br/c1-3-4-5(2)6/h5H,3-4H2,1-2H3 | LGAJYTCRJPCZRJ-UHFFFAOYSA-N | C5H11Br | 151.04 | 150.00441 | 2.7 | 0 | 27 | 0 | 0 | 0 | 2 | 6 | 69 °F (USCG, 1999) | 243 °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 |
2-CHLOROETHYL VINYL ETHER | 000110-75-8 | 8,074 | 1-chloro-2-ethenoxyethane | C=COCCCl | InChI=1S/C4H7ClO/c1-2-6-4-3-5/h2H,1,3-4H2 | DNJRKFKAFWSXSE-UHFFFAOYSA-N | C4H7ClO | 106.55 | 106.018543 | 1.4 | 9.2 | 36 | 0 | 0 | 1 | 3 | 6 | 61 °F (NTP, 1992) | 228 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TRIISOPROPYL BORATE | 005419-55-6 | 21,531 | tripropan-2-yl borate | B(OC(C)C)(OC(C)C)OC(C)C | InChI=1S/C9H21BO3/c1-7(2)11-10(12-8(3)4)13-9(5)6/h7-9H,1-6H3 | NHDIQVFFNDKAQU-UHFFFAOYSA-N | C9H21BO3 | 188.07 | 188.158375 | null | 27.7 | 102 | 0 | 0 | 3 | 6 | 13 | 82 °F (NFPA, 2010) | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
TRIFLUOROMETHYLTRIMETHYLSILANE | 081290-20-2 | 552,549 | trimethyl(trifluoromethyl)silane | C[Si](C)(C)C(F)(F)F | InChI=1S/C4H9F3Si/c1-8(2,3)4(5,6)7/h1-3H3 | MWKJTNBSKNUMFN-UHFFFAOYSA-N | C4H9F3Si | 142.19 | 142.042561 | null | 0 | 78 | 0 | 0 | 3 | 0 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TRANS-2-METHYL-1,3-PENTADIENE | 000926-54-5 | 638,070 | (3E)-2-methylpenta-1,3-diene | C/C=C/C(=C)C | InChI=1S/C6H10/c1-4-5-6(2)3/h4-5H,2H2,1,3H3/b5-4+ | RCJMVGJKROQDCB-SNAWJCMRSA-N | C6H10 | 82.14 | 82.07825 | 2.7 | 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 |
3-METHYL-1,3-PENTADIENE | 004549-74-0 | 638,069 | (3E)-3-methylpenta-1,3-diene | C/C=C(\C)/C=C | InChI=1S/C6H10/c1-4-6(3)5-2/h4-5H,1H2,2-3H3/b6-5+ | BOGRNZQRTNVZCZ-AATRIKPKSA-N | C6H10 | 82.14 | 82.07825 | 2.7 | 0 | 68 | 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 |
TRIMETHYLIODOSILANE | 016029-98-4 | 85,247 | iodo(trimethyl)silane | C[Si](C)(C)I | InChI=1S/C3H9ISi/c1-5(2,3)4/h1-3H3 | CSRZQMIRAZTJOY-UHFFFAOYSA-N | C3H9ISi | 200.09 | 199.95182 | null | 0 | 28 | 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 | 0 |
PROPOXYTRIMETHYLSILANE | 001825-63-4 | 74,577 | trimethyl(propoxy)silane | CCCO[Si](C)(C)C | InChI=1S/C6H16OSi/c1-5-6-7-8(2,3)4/h5-6H2,1-4H3 | PHPGKIATZDCVHL-UHFFFAOYSA-N | C6H16OSi | 132.28 | 132.097042 | null | 9.2 | 56 | 0 | 0 | 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 |
BROMOTRIMETHYLSILANE | 002857-97-8 | 76,113 | bromo(trimethyl)silane | C[Si](C)(C)Br | InChI=1S/C3H9BrSi/c1-5(2,3)4/h1-3H3 | IYYIVELXUANFED-UHFFFAOYSA-N | C3H9BrSi | 153.09 | 151.96569 | null | 0 | 28 | 0 | 0 | 0 | 0 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
METHYL 2-CHLORO-2,2-DIFLUOROACETATE | 001514-87-0 | 73,935 | methyl 2-chloro-2,2-difluoroacetate | COC(=O)C(F)(F)Cl | InChI=1S/C3H3ClF2O2/c1-8-2(7)3(4,5)6/h1H3 | AWUPLMYXZJKHEG-UHFFFAOYSA-N | C3H3ClF2O2 | 144.5 | 143.978963 | 0.8 | 26.3 | 103 | 0 | 0 | 4 | 2 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
CROTYL BROMIDE | 029576-14-5 | 637,532 | (E)-1-bromobut-2-ene | C/C=C/CBr | InChI=1S/C4H7Br/c1-2-3-4-5/h2-3H,4H2,1H3/b3-2+ | AVMHMVJVHYGDOO-NSCUHMNNSA-N | C4H7Br | 135 | 133.97311 | 1.9 | 0 | 30 | 0 | 0 | 0 | 1 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
N,N-DIMETHYLETHYLENEDIAMINE | 000108-00-9 | 66,053 | N',N'-dimethylethane-1,2-diamine | CN(C)CCN | InChI=1S/C4H12N2/c1-6(2)4-3-5/h3-5H2,1-2H3 | DILRJUIACXKSQE-UHFFFAOYSA-N | C4H12N2 | 88.15 | 88.100048 | -0.7 | 29.3 | 26 | 0 | 1 | 2 | 2 | 6 | null | null | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-CHLOROACRYLONITRILE | 000920-37-6 | 70,198 | 2-chloroprop-2-enenitrile | C=C(C#N)Cl | InChI=1S/C3H2ClN/c1-3(4)2-5/h1H2 | OYUNTGBISCIYPW-UHFFFAOYSA-N | C3H2ClN | 87.51 | 86.987577 | 1.4 | 23.8 | 86 | 0 | 0 | 1 | 0 | 5 | 44 °F (NTP, 1992) | 190 to 192 °F at 760 mmHg (NTP, 1992) | 1 | 1 | 1 | 1 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 |
1-PENTANETHIOL | 000110-66-7 | 8,067 | pentane-1-thiol | CCCCCS | InChI=1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3 | ZRKMQKLGEQPLNS-UHFFFAOYSA-N | C5H12S | 104.22 | 104.065972 | 2.3 | 1 | 19 | 0 | 1 | 1 | 3 | 6 | 65 °F (USCG, 1999) | 248 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
METHYL-D3 ALCOHOL | 001849-29-2 | 123,132 | trideuteriomethanol | [2H]C([2H])([2H])O | InChI=1S/CH4O/c1-2/h2H,1H3/i1D3 | OKKJLVBELUTLKV-FIBGUPNXSA-N | CH4O | 35.06 | 35.045045 | -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 |
METHYL ALCOHOL-D | 001455-13-6 | 123,113 | deuteriooxymethane | [2H]OC | InChI=1S/CH4O/c1-2/h2H,1H3/i2D | OKKJLVBELUTLKV-VMNATFBRSA-N | CH4O | 33.048 | 33.032491 | -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 |
1,7-OCTADIENE | 003710-30-3 | 19,460 | octa-1,7-diene | C=CCCCCC=C | InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-8H2 | XWJBRBSPAODJER-UHFFFAOYSA-N | C8H14 | 110.2 | 110.10955 | 3.5 | 0 | 52 | 0 | 0 | 0 | 5 | 8 | 9 °C | 114-121 °C | 1 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PENTYLAMINE | 000110-58-7 | 8,060 | pentan-1-amine | CCCCCN | InChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3 | DPBLXKKOBLCELK-UHFFFAOYSA-N | C5H13N | 87.16 | 87.104799 | 1.5 | 26 | 19 | 0 | 1 | 1 | 3 | 6 | 45 °F (NTP, 1992) | 219.9 °F at 760 mmHg (NTP, 1992) | 0 | 1 | 1 | 1 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ISOPENTYLAMINE | 000107-85-7 | 7,894 | 3-methylbutan-1-amine | CC(C)CCN | InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3 | BMFVGAAISNGQNM-UHFFFAOYSA-N | C5H13N | 87.16 | 87.104799 | 1 | 26 | 25 | 0 | 1 | 1 | 2 | 6 | null | 95.00 to 97.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TRIMETHOXYSILANE | 002487-90-3 | 17,215 | trimethoxysilane | CO[SiH](OC)OC | InChI=1S/C3H10O3Si/c1-4-7(5-2)6-3/h7H,1-3H3 | YUYCVXFAYWRXLS-UHFFFAOYSA-N | C3H10O3Si | 122.19 | 122.039921 | null | 27.7 | 31 | 0 | 0 | 3 | 3 | 7 | null | 84 °C | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TERT-BUTYL ISOCYANIDE | 007188-38-7 | 23,577 | 2-isocyano-2-methylpropane | CC(C)(C)[N+]#[C-] | InChI=1S/C5H9N/c1-5(2,3)6-4/h1-3H3 | FAGLEPBREOXSAC-UHFFFAOYSA-N | C5H9N | 83.13 | 83.073499 | 0.9 | 4.4 | 77 | 0 | 0 | 1 | 0 | 6 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
N,N,N'-TRIMETHYLETHYLENEDIAMINE | 000142-25-6 | 67,338 | N,N',N'-trimethylethane-1,2-diamine | CNCCN(C)C | InChI=1S/C5H14N2/c1-6-4-5-7(2)3/h6H,4-5H2,1-3H3 | HVOYZOQVDYHUPF-UHFFFAOYSA-N | C5H14N2 | 102.18 | 102.115699 | -0.2 | 15.3 | 35 | 0 | 1 | 2 | 3 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1,3-DICHLORO-1,1,3,3-TETRAMETHYLDISILOXANE | 002401-73-2 | 75,461 | chloro-[chloro(dimethyl)silyl]oxy-dimethylsilane | C[Si](C)(O[Si](C)(C)Cl)Cl | InChI=1S/C4H12Cl2OSi2/c1-8(2,5)7-9(3,4)6/h1-4H3 | DMEXFOUCEOWRGD-UHFFFAOYSA-N | C4H12Cl2OSi2 | 203.21 | 201.980374 | null | 9.2 | 92 | 0 | 0 | 1 | 2 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-METHYL-2-PROPANOL-D10 | 053001-22-2 | 2,723,971 | 1,1,1,3,3,3-hexadeuterio-2-deuteriooxy-2-(trideuteriomethyl)propane | [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])O[2H] | InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3/i1D3,2D3,3D3,5D | DKGAVHZHDRPRBM-SGLLWXCUSA-N | C4H10O | 84.18 | 84.135932 | 0.5 | 20.2 | 25 | 0 | 1 | 1 | 0 | 5 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
PERFLUORO-2-METHYL-2-PENTENE | 001584-03-8 | 74,105 | 1,1,1,3,4,4,5,5,5-nonafluoro-2-(trifluoromethyl)pent-2-ene | C(=C(C(C(F)(F)F)(F)F)F)(C(F)(F)F)C(F)(F)F | InChI=1S/C6F12/c7-2(3(8,9)6(16,17)18)1(4(10,11)12)5(13,14)15 | FAEGGADNHFKDQX-UHFFFAOYSA-N | C6F12 | 300.04 | 299.980838 | 4.4 | 0 | 319 | 0 | 0 | 12 | 1 | 18 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ETHYL HEPTAFLUOROBUTYRATE | 000356-27-4 | 9,644 | ethyl 2,2,3,3,4,4,4-heptafluorobutanoate | CCOC(=O)C(C(C(F)(F)F)(F)F)(F)F | InChI=1S/C6H5F7O2/c1-2-15-3(14)4(7,8)5(9,10)6(11,12)13/h2H2,1H3 | JVHJRIQPDBCRRE-UHFFFAOYSA-N | C6H5F7O2 | 242.09 | 242.017777 | 2.8 | 26.3 | 244 | 0 | 0 | 9 | 4 | 15 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
DIMETHYLDIMETHOXYSILANE | 001112-39-6 | 66,187 | dimethoxy(dimethyl)silane | CO[Si](C)(C)OC | InChI=1S/C4H12O2Si/c1-5-7(3,4)6-2/h1-4H3 | JJQZDUKDJDQPMQ-UHFFFAOYSA-N | C4H12O2Si | 120.22 | 120.060656 | null | 18.5 | 47 | 0 | 0 | 2 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 |
2,4-DIMETHYL-1,3-PENTADIENE | 001000-86-8 | 66,080 | 2,4-dimethylpenta-1,3-diene | CC(=CC(=C)C)C | InChI=1S/C7H12/c1-6(2)5-7(3)4/h5H,1H2,2-4H3 | CMSUNVGIWAFNBG-UHFFFAOYSA-N | C7H12 | 96.17 | 96.0939 | 3.3 | 0 | 92 | 0 | 0 | 0 | 1 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
3-AMINOPENTANE | 000616-24-0 | 12,019 | pentan-3-amine | CCC(CC)N | InChI=1S/C5H13N/c1-3-5(6)4-2/h5H,3-4,6H2,1-2H3 | PQPFFKCJENSZKL-UHFFFAOYSA-N | C5H13N | 87.16 | 87.104799 | 1.1 | 26 | 23 | 0 | 1 | 1 | 2 | 6 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
N-BUTYLDIMETHYLCHLOROSILANE | 001000-50-6 | 66,079 | butyl-chloro-dimethylsilane | CCCC[Si](C)(C)Cl | InChI=1S/C6H15ClSi/c1-4-5-6-8(2,3)7/h4-6H2,1-3H3 | MXOSTENCGSDMRE-UHFFFAOYSA-N | C6H15ClSi | 150.72 | 150.063155 | null | 0 | 61 | 0 | 0 | 0 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ETHYL-1-13C ALCOHOL | 014742-23-5 | 12,201,684 | (113C)ethanol | C[13CH2]O | InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3/i2+1 | LFQSCWFLJHTTHZ-VQEHIDDOSA-N | C2H6O | 47.061 | 47.04522 | -0.1 | 20.2 | 2 | 0 | 1 | 1 | 0 | 3 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
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