primary_name string | cas_number string | cid int64 | iupac_name string | canonical_smiles string | inchi string | inchi_key string | molecular_formula string | molecular_weight float64 | exact_mass float64 | xlogp float64 | tpsa float64 | complexity int64 | charge int64 | h_bond_donor_count int64 | h_bond_acceptor_count int64 | rotatable_bond_count int64 | heavy_atom_count int64 | flash_point string | boiling_point string | acute_aquatic_toxicity int64 | acute_toxicity_dermal int64 | acute_toxicity_inhalation int64 | acute_toxicity_oral int64 | aspiration_hazard int64 | carcinogenicity int64 | chronic_aquatic_toxicity int64 | eye_damage_irritation int64 | flammable_liquids int64 | flammable_solids int64 | germ_cell_mutagenicity int64 | metal_corrosion int64 | organic_peroxides int64 | reproductive_toxicity int64 | respiratory_sensitization int64 | self_reactive_substances int64 | skin_corrosion_irritation int64 | skin_sensitization int64 | stot_repeated_exposure int64 | stot_single_exposure int64 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,2,2-TRIFUOROETHYL METHACRYLATE | 000352-87-4 | 9,608 | 2,2,2-trifluoroethyl 2-methylprop-2-enoate | CC(=C)C(=O)OCC(F)(F)F | InChI=1S/C6H7F3O2/c1-4(2)5(10)11-3-6(7,8)9/h1,3H2,2H3 | QTKPMCIBUROOGY-UHFFFAOYSA-N | C6H7F3O2 | 168.11 | 168.039814 | 2.7 | 26.3 | 171 | 0 | 0 | 5 | 3 | 11 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1,1-DIETHOXYTRIMETHYLAMINE | 001188-33-6 | 70,913 | 1,1-diethoxy-N,N-dimethylmethanamine | CCOC(N(C)C)OCC | InChI=1S/C7H17NO2/c1-5-9-7(8(3)4)10-6-2/h7H,5-6H2,1-4H3 | BWKAYBPLDRWMCJ-UHFFFAOYSA-N | C7H17NO2 | 147.22 | 147.125929 | 1 | 21.7 | 70 | 0 | 0 | 3 | 5 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-PROPENOIC ACID, 2,2,2-TRIFLUORO-1-(TRIFLUOROMETHYL)ETHYL ESTER | 002160-89-6 | 75,096 | 1,1,1,3,3,3-hexafluoropropan-2-yl prop-2-enoate | C=CC(=O)OC(C(F)(F)F)C(F)(F)F | InChI=1S/C6H4F6O2/c1-2-3(13)14-4(5(7,8)9)6(10,11)12/h2,4H,1H2 | MNSWITGNWZSAMC-UHFFFAOYSA-N | C6H4F6O2 | 222.08 | 222.011548 | 3 | 26.3 | 213 | 0 | 0 | 8 | 3 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1,3-DIETHENYL-1,1,3,3-TETRAMETHYLDISILOXANE | 002627-95-4 | 75,819 | ethenyl-[ethenyl(dimethyl)silyl]oxy-dimethylsilane | C[Si](C)(C=C)O[Si](C)(C)C=C | InChI=1S/C8H18OSi2/c1-7-10(3,4)9-11(5,6)8-2/h7-8H,1-2H2,3-6H3 | BITPLIXHRASDQB-UHFFFAOYSA-N | C8H18OSi2 | 186.4 | 186.089618 | null | 9.2 | 143 | 0 | 0 | 1 | 4 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 1 |
2-METHYL-3-BUTENENITRILE | 016529-56-9 | 27,909 | 2-methylbut-3-enenitrile | CC(C=C)C#N | InChI=1S/C5H7N/c1-3-5(2)4-6/h3,5H,1H2,2H3 | WBAXCOMEMKANRN-UHFFFAOYSA-N | C5H7N | 81.12 | 81.057849 | 1.3 | 23.8 | 85 | 0 | 0 | 1 | 1 | 6 | less than 71 °F (NTP, 1992) | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
N-METHYL-ETHANAMINE, HAFNIUM(4+) SALT (4:1) | 352535-01-4 | 4,103,752 | ethyl(methyl)azanide;hafnium(4+) | CC[N-]C.CC[N-]C.CC[N-]C.CC[N-]C.[Hf+4] | InChI=1S/4C3H8N.Hf/c4*1-3-4-2;/h4*3H2,1-2H3;/q4*-1;+4 | NPEOKFBCHNGLJD-UHFFFAOYSA-N | C12H32HfN4 | 410.9 | 412.20926 | null | 4 | 50 | 0 | 0 | 4 | 4 | 17 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
DIETHYL-D10-AMINE | 120092-66-2 | 13,000,365 | 1,1,2,2,2-pentadeuterio-N-(1,1,2,2,2-pentadeuterioethyl)ethanamine | [2H]C([2H])([2H])C([2H])([2H])NC([2H])([2H])C([2H])([2H])[2H] | InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3/i1D3,2D3,3D2,4D2 | HPNMFZURTQLUMO-MWUKXHIBSA-N | C4H11N | 83.2 | 83.151917 | 0.6 | 12 | 11 | 0 | 1 | 1 | 2 | 5 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TRIETHYLETHYNYLSILANE | 001777-03-3 | 637,947 | triethyl(ethynyl)silane | CC[Si](CC)(CC)C#C | InChI=1S/C8H16Si/c1-5-9(6-2,7-3)8-4/h1H,6-8H2,2-4H3 | FWSPXZXVNVQHIF-UHFFFAOYSA-N | C8H16Si | 140.3 | 140.102127 | null | 0 | 106 | 0 | 0 | 0 | 4 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-BROMO-3,3-DIMETHYLBUTANE | 001647-23-0 | 137,137 | 1-bromo-3,3-dimethylbutane | CC(C)(C)CCBr | InChI=1S/C6H13Br/c1-6(2,3)4-5-7/h4-5H2,1-3H3 | ROKZAMCDHKVZIQ-UHFFFAOYSA-N | C6H13Br | 165.07 | 164.02006 | 3.1 | 0 | 42 | 0 | 0 | 0 | 2 | 7 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1,1,2,2,2-PENTAFLUOROETHYL 2,2,2-TRIFLUOROETHYL ETHER | 016627-68-2 | 2,776,662 | 1,1,2,2-tetrafluoro-3-(1,1,2,2-tetrafluoroethoxy)propane | C(C(C(F)F)(F)F)OC(C(F)F)(F)F | InChI=1S/C5H4F8O/c6-2(7)4(10,11)1-14-5(12,13)3(8)9/h2-3H,1H2 | HCBRSIIGBBDDCD-UHFFFAOYSA-N | C5H4F8O | 232.07 | 232.01344 | 3.2 | 9.2 | 179 | 0 | 0 | 9 | 5 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
(TERT-BUTYLDIMETHYLSILYL) ACETYLENE | 086318-61-8 | 2,757,281 | tert-butyl-ethynyl-dimethylsilane | CC(C)(C)[Si](C)(C)C#C | InChI=1S/C8H16Si/c1-7-9(5,6)8(2,3)4/h1H,2-6H3 | RTYNRTUKJVYEIE-UHFFFAOYSA-N | C8H16Si | 140.3 | 140.102127 | null | 0 | 140 | 0 | 0 | 0 | 2 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
ACETYL CHLORIDE-13C2 | 089186-79-8 | 12,214,087 | acetyl chloride | [13CH3][13C](=O)Cl | InChI=1S/C2H3ClO/c1-2(3)4/h1H3/i1+1,2+1 | WETWJCDKMRHUPV-ZDOIIHCHSA-N | C2H3ClO | 80.48 | 79.993952 | 0.8 | 17.1 | 33 | 0 | 0 | 1 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
CIS-2-HEXENE | 007688-21-3 | 643,835 | (Z)-hex-2-ene | CCC/C=C\C | InChI=1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3/b5-3- | RYPKRALMXUUNKS-HYXAFXHYSA-N | C6H12 | 84.16 | 84.0939 | 2.6 | 0 | 35 | 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 |
1,4-DIMETHYLDISILETHANE | 004405-22-5 | 15,810,336 | null | C[Si]CC[Si]C | InChI=1S/C4H10Si2/c1-5-3-4-6-2/h3-4H2,1-2H3 | ZVAUGYMORQSGPT-UHFFFAOYSA-N | C4H10Si2 | 114.29 | 114.032103 | null | 0 | 17 | 0 | 0 | 0 | 3 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
CARBONIC ACID, METHYL 2,2,2-TRIFLUOROETHYL ESTER | 156783-95-8 | 17,761,042 | methyl 2,2,2-trifluoroethyl carbonate | COC(=O)OCC(F)(F)F | InChI=1S/C4H5F3O3/c1-9-3(8)10-2-4(5,6)7/h2H2,1H3 | GBPVMEKUJUKTBA-UHFFFAOYSA-N | C4H5F3O3 | 158.08 | 158.019079 | 1.6 | 35.5 | 119 | 0 | 0 | 6 | 3 | 10 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
1,1-DIMETHOXYETHYL(DIMETHYL)AMINE | 018871-66-4 | 87,835 | 1,1-dimethoxy-N,N-dimethylethanamine | CC(N(C)C)(OC)OC | InChI=1S/C6H15NO2/c1-6(8-4,9-5)7(2)3/h1-5H3 | FBZVZUSVGKOWHG-UHFFFAOYSA-N | C6H15NO2 | 133.19 | 133.110279 | 0.4 | 21.7 | 79 | 0 | 0 | 3 | 3 | 9 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
METHYL PENT-4-YNOATE | 021565-82-2 | 543,061 | methyl pent-4-ynoate | COC(=O)CCC#C | InChI=1S/C6H8O2/c1-3-4-5-6(7)8-2/h1H,4-5H2,2H3 | WCSNOLUUFIWIHY-UHFFFAOYSA-N | C6H8O2 | 112.13 | 112.05243 | 0.6 | 26.3 | 118 | 0 | 0 | 2 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ISOPROPYL CHLOROFORMATE | 000108-23-6 | 7,917 | propan-2-yl carbonochloridate | CC(C)OC(=O)Cl | InChI=1S/C4H7ClO2/c1-3(2)7-4(5)6/h3H,1-2H3 | IVRIRQXJSNCSPQ-UHFFFAOYSA-N | C4H7ClO2 | 122.55 | 122.013457 | 2 | 26.3 | 70 | 0 | 0 | 2 | 2 | 7 | 60.1 °F (EPA, 1998) | 220 °F at 761 mmHg (EPA, 1998) | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
ETHANAMINE, 2-ETHOXY- | 000110-76-9 | 66,970 | 2-ethoxyethanamine | CCOCCN | InChI=1S/C4H11NO/c1-2-6-4-3-5/h2-5H2,1H3 | BPGIOCZAQDIBPI-UHFFFAOYSA-N | C4H11NO | 89.14 | 89.084064 | -0.5 | 35.3 | 23 | 0 | 1 | 2 | 3 | 6 | null | null | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PROPANE, 1-ISOCYANATO- | 000110-78-1 | 61,033 | 1-isocyanatopropane | CCCN=C=O | InChI=1S/C4H7NO/c1-2-3-5-4-6/h2-3H2,1H3 | OQURWGJAWSLGQG-UHFFFAOYSA-N | C4H7NO | 85.1 | 85.052764 | 1.9 | 29.4 | 63 | 0 | 0 | 2 | 2 | 6 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 1 |
PROPANOIC ACID, PENTAFLUORO-, METHYL ESTER | 000378-75-6 | 9,783 | methyl 2,2,3,3,3-pentafluoropropanoate | COC(=O)C(C(F)(F)F)(F)F | InChI=1S/C4H3F5O2/c1-11-2(10)3(5,6)4(7,8)9/h1H3 | JMKJCPUVEMZGEC-UHFFFAOYSA-N | C4H3F5O2 | 178.06 | 178.00532 | 1.8 | 26.3 | 160 | 0 | 0 | 7 | 2 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2,2,3-TRIMETHYLBUTANE | 000464-06-2 | 10,044 | 2,2,3-trimethylbutane | CC(C)C(C)(C)C | InChI=1S/C7H16/c1-6(2)7(3,4)5/h6H,1-5H3 | ZISSAWUMDACLOM-UHFFFAOYSA-N | C7H16 | 100.2 | 100.125201 | 3.3 | 0 | 45 | 0 | 0 | 0 | 1 | 7 | null | null | 1 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ACETYL IODIDE | 000507-02-8 | 10,483 | acetyl iodide | CC(=O)I | InChI=1S/C2H3IO/c1-2(3)4/h1H3 | LEKJTGQWLAUGQA-UHFFFAOYSA-N | C2H3IO | 169.95 | 169.92286 | 0.8 | 17.1 | 33 | 0 | 0 | 1 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
CARBAMODITHIOIC ACID, MONOAMMONIUM SALT | 000513-74-6 | 11,083,854 | azanium carbamodithioate | C(=S)(N)[S-].[NH4+] | InChI=1S/CH3NS2.H3N/c2-1(3)4;/h(H3,2,3,4);1H3 | DCYNAHFAQKMWDW-UHFFFAOYSA-N | CH6N2S2 | 110.21 | 109.997241 | null | 60.1 | 27 | 0 | 2 | 2 | 0 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
3-ETHYLHEXANE | 000619-99-8 | 12,096 | 3-ethylhexane | CCCC(CC)CC | InChI=1S/C8H18/c1-4-7-8(5-2)6-3/h8H,4-7H2,1-3H3 | SFRKSDZMZHIISH-UHFFFAOYSA-N | C8H18 | 114.23 | 114.140851 | 4.3 | 0 | 35 | 0 | 0 | 0 | 4 | 8 | null | null | 1 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1,5-HEXADIENE, 2,5-DIMETHYL- | 000627-58-7 | 12,322 | 2,5-dimethylhexa-1,5-diene | CC(=C)CCC(=C)C | InChI=1S/C8H14/c1-7(2)5-6-8(3)4/h1,3,5-6H2,2,4H3 | DSAYAFZWRDYBQY-UHFFFAOYSA-N | C8H14 | 110.2 | 110.10955 | 3.7 | 0 | 84 | 0 | 0 | 0 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PROPANE, 2-(ETHENYLOXY)-2-METHYL- | 000926-02-3 | 70,220 | 2-ethenoxy-2-methylpropane | CC(C)(C)OC=C | InChI=1S/C6H12O/c1-5-7-6(2,3)4/h5H,1H2,2-4H3 | PGYJSURPYAAOMM-UHFFFAOYSA-N | C6H12O | 100.16 | 100.088815 | 1.8 | 9.2 | 59 | 0 | 0 | 1 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
CHLORO(1-METHYLETHYL)-MAGNESIUM | 001068-55-9 | 101,955 | magnesium;propane;chloride | C[CH-]C.[Mg+2].[Cl-] | InChI=1S/C3H7.ClH.Mg/c1-3-2;;/h3H,1-2H3;1H;/q-1;;+2/p-1 | IUYHWZFSGMZEOG-UHFFFAOYSA-M | C3H7ClMg | 102.84 | 102.00867 | null | 0 | 6 | 0 | 0 | 2 | 0 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1-BUTYNE, 3-CHLORO-3-METHYL- | 001111-97-3 | 70,679 | 3-chloro-3-methylbut-1-yne | CC(C)(C#C)Cl | InChI=1S/C5H7Cl/c1-4-5(2,3)6/h1H,2-3H3 | QSILYWCNPOLKPN-UHFFFAOYSA-N | C5H7Cl | 102.56 | 102.023628 | 1.5 | 0 | 83 | 0 | 0 | 0 | 0 | 6 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PENTANAL, 4-METHYL- | 001119-16-0 | 129 | 4-methylpentanal | CC(C)CCC=O | InChI=1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3 | JGEGJYXHCFUMJF-UHFFFAOYSA-N | C6H12O | 100.16 | 100.088815 | 1.3 | 17.1 | 48 | 0 | 0 | 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 |
ALUMINUM, CHLORODIMETHYL- | 001184-58-3 | 79,147 | chloro(dimethyl)alumane | C[Al](C)Cl | InChI=1S/2CH3.Al.ClH/h2*1H3;;1H/q;;+1;/p-1 | JGHYBJVUQGTEEB-UHFFFAOYSA-M | C2H6AlCl | 92.5 | 91.997341 | null | 0 | 13 | 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 |
ALUMINUM, ETHOXYDIETHYL- | 001586-92-1 | 16,683,109 | ethoxy(diethyl)alumane | CCO[Al](CC)CC | InChI=1S/C2H5O.2C2H5.Al/c1-2-3;2*1-2;/h2H2,1H3;2*1H2,2H3;/q-1;;;+1 | GCPCLEKQVMKXJM-UHFFFAOYSA-N | C6H15AlO | 130.16 | 130.093829 | null | 9.2 | 43 | 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 |
SILANETETRAMINE, OCTAMETHYL- | 001624-01-7 | 74,194 | N-methyl-N-[tris(dimethylamino)silyl]methanamine | CN(C)[Si](N(C)C)(N(C)C)N(C)C | InChI=1S/C8H24N4Si/c1-9(2)13(10(3)4,11(5)6)12(7)8/h1-8H3 | SSCVMVQLICADPI-UHFFFAOYSA-N | C8H24N4Si | 204.39 | 204.177023 | null | 13 | 119 | 0 | 0 | 4 | 4 | 13 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
BROMOETHENYLMAGNESIUM | 001826-67-1 | 74,584 | magnesium;ethene;bromide | C=[CH-].[Mg+2].[Br-] | InChI=1S/C2H3.BrH.Mg/c1-2;;/h1H,2H2;1H;/q-1;;+2/p-1 | RMGJCSHZTFKPNO-UHFFFAOYSA-M | C2H3BrMg | 131.25 | 129.92685 | null | 0 | 6 | 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-BUTANAMINE, N-ETHYL-3-METHYL- | 002738-06-9 | 102,873 | N-ethyl-3-methylbutan-2-amine | CCNC(C)C(C)C | InChI=1S/C7H17N/c1-5-8-7(4)6(2)3/h6-8H,5H2,1-4H3 | FQBQBRBAJDVVOH-UHFFFAOYSA-N | C7H17N | 115.22 | 115.1361 | 1.9 | 12 | 50 | 0 | 1 | 1 | 3 | 8 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SILANEDIAMINE, HEXAMETHYL- | 003768-58-9 | 77,384 | N-[dimethylamino(dimethyl)silyl]-N-methylmethanamine | CN(C)[Si](C)(C)N(C)C | InChI=1S/C6H18N2Si/c1-7(2)9(5,6)8(3)4/h1-6H3 | QULMGWCCKILBTO-UHFFFAOYSA-N | C6H18N2Si | 146.31 | 146.123925 | null | 6.5 | 79 | 0 | 0 | 2 | 2 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
OCTANE, 3-ETHYL- | 005881-17-4 | 79,985 | 3-ethyloctane | CCCCCC(CC)CC | InChI=1S/C10H22/c1-4-7-8-9-10(5-2)6-3/h10H,4-9H2,1-3H3 | OEYGTUAKNZFCDJ-UHFFFAOYSA-N | C10H22 | 142.28 | 142.172151 | 5.3 | 0 | 53 | 0 | 0 | 0 | 6 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-BUTENE, 2-BROMO- | 013294-71-8 | 5,364,387 | (E)-2-bromobut-2-ene | C/C=C(\C)/Br | InChI=1S/C4H7Br/c1-3-4(2)5/h3H,1-2H3/b4-3+ | UILZQFGKPHAAOU-ONEGZZNKSA-N | C4H7Br | 135 | 133.97311 | 2.2 | 0 | 45 | 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 |
SILANE, TRIMETHYL-2-PROPYNYL- | 013361-64-3 | 83,378 | trimethyl(prop-2-ynyl)silane | C[Si](C)(C)CC#C | InChI=1S/C6H12Si/c1-5-6-7(2,3)4/h1H,6H2,2-4H3 | ULYLMHUHFUQKOE-UHFFFAOYSA-N | C6H12Si | 112.24 | 112.070827 | null | 0 | 88 | 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 |
SILANAMINE, N,N-DIETHYL-1,1-DIMETHYL- | 013686-66-3 | 6,335,300 | null | CCN(CC)[Si](C)C | InChI=1S/C6H16NSi/c1-5-7(6-2)8(3)4/h5-6H2,1-4H3 | ADTGAVILDBXARD-UHFFFAOYSA-N | C6H16NSi | 130.28 | 130.105201 | null | 3.2 | 50 | 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 |
SEC-BUTYLMAGNESIUM CHLORIDE | 015366-08-2 | 84,884 | magnesium;butane;chloride | CC[CH-]C.[Mg+2].[Cl-] | InChI=1S/C4H9.ClH.Mg/c1-3-4-2;;/h3H,4H2,1-2H3;1H;/q-1;;+2/p-1 | YNLPNVNWHDKDMN-UHFFFAOYSA-M | C4H9ClMg | 116.87 | 116.02432 | null | 0 | 11 | 0 | 0 | 2 | 1 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-PROPEN-1-AMINE, N-ETHYL-2-METHYL- | 018328-90-0 | 87,587 | N-ethyl-2-methylprop-2-en-1-amine | CCNCC(=C)C | InChI=1S/C6H13N/c1-4-7-5-6(2)3/h7H,2,4-5H2,1,3H3 | AXTLFVLHXSDZOW-UHFFFAOYSA-N | C6H13N | 99.17 | 99.104799 | 1.4 | 12 | 57 | 0 | 1 | 1 | 3 | 7 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1-BUTENE, 4-BROMO-3,3,4,4-TETRAFLUORO- | 018599-22-9 | 87,721 | 4-bromo-3,3,4,4-tetrafluorobut-1-ene | C=CC(C(F)(F)Br)(F)F | InChI=1S/C4H3BrF4/c1-2-3(6,7)4(5,8)9/h2H,1H2 | GVCWGFZDSIWLMO-UHFFFAOYSA-N | C4H3BrF4 | 206.96 | 205.93543 | 3 | 0 | 120 | 0 | 0 | 4 | 2 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1,2-ETHANEDIAMINE, N-(1-METHYLETHYL)- | 019522-67-9 | 88,098 | N'-propan-2-ylethane-1,2-diamine | CC(C)NCCN | InChI=1S/C5H14N2/c1-5(2)7-4-3-6/h5,7H,3-4,6H2,1-2H3 | KDRUIMNNZBMLJR-UHFFFAOYSA-N | C5H14N2 | 102.18 | 102.115699 | -0.3 | 38.1 | 35 | 0 | 2 | 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 |
SILANAMINE, N,N,1,1-TETRAMETHYL- | 022705-32-4 | 6,335,386 | null | CN(C)[Si](C)C | InChI=1S/C4H12NSi/c1-5(2)6(3)4/h1-4H3 | KZFNONVXCZVHRD-UHFFFAOYSA-N | C4H12NSi | 102.23 | 102.073901 | null | 3.2 | 34 | 0 | 0 | 1 | 1 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
N-(1-METHYLETHYL)-2-PROPANAMINE, MAGNESIUM SALT | 023293-23-4 | 10,198,422 | magnesium bis(di(propan-2-yl)azanide) | CC(C)[N-]C(C)C.CC(C)[N-]C(C)C.[Mg+2] | InChI=1S/2C6H14N.Mg/c2*1-5(2)7-6(3)4;/h2*5-6H,1-4H3;/q2*-1;+2 | XDBOBNVQEBSKFO-UHFFFAOYSA-N | C12H28MgN2 | 224.67 | 224.210291 | null | 2 | 33 | 0 | 0 | 2 | 4 | 15 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
MAGNESIUM, CHLOROOCTYL- | 038841-98-4 | 4,147,387 | magnesium;octane;chloride | CCCCCCC[CH2-].[Mg+2].[Cl-] | InChI=1S/C8H17.ClH.Mg/c1-3-5-7-8-6-4-2;;/h1,3-8H2,2H3;1H;/q-1;;+2/p-1 | HQDAZWQQKSJCTM-UHFFFAOYSA-M | C8H17ClMg | 172.98 | 172.08692 | null | 0 | 40 | 0 | 0 | 2 | 5 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ALUMINATE(1-), (2-ETHYL-1-HEXANOLATO)TRIS(2-PROPANOLATO)-, HYDROGEN, (T-4)- | 068309-99-9 | 109,286 | aluminum;2-ethylhexan-1-olate;hydron;tris(propan-2-olate) | [H+].CCCCC(CC)C[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Al+3] | InChI=1S/C8H17O.3C3H7O.Al/c1-3-5-6-8(4-2)7-9;3*1-3(2)4;/h8H,3-7H2,1-2H3;3*3H,1-2H3;/q4*-1;+3/p+1 | STQWFFBMELDDQL-UHFFFAOYSA-O | C17H39AlO4 | 334.5 | 334.266373 | null | 92.2 | 63 | 0 | 1 | 4 | 5 | 22 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1,1,1,3,3-PENTAFLUOROBUTANE | 000406-58-6 | 67,884 | 1,1,1,3,3-pentafluorobutane | CC(CC(F)(F)F)(F)F | InChI=1S/C4H5F5/c1-3(5,6)2-4(7,8)9/h2H2,1H3 | WZLFPVPRZGTCKP-UHFFFAOYSA-N | C4H5F5 | 148.07 | 148.031141 | 2.7 | 0 | 91 | 0 | 0 | 5 | 1 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
TRIMETHYLPHOSPHINE | 000594-09-2 | 68,983 | trimethylphosphane | CP(C)C | InChI=1S/C3H9P/c1-4(2)3/h1-3H3 | YWWDBCBWQNCYNR-UHFFFAOYSA-N | C3H9P | 76.08 | 76.044187 | -0.1 | 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 | 1 |
ETHYL VINYL ETHER | 000109-92-2 | 8,023 | ethenoxyethane | CCOC=C | InChI=1S/C4H8O/c1-3-5-4-2/h3H,1,4H2,2H3 | FJKIXWOMBXYWOQ-UHFFFAOYSA-N | C4H8O | 72.11 | 72.057515 | 1 | 9.2 | 24 | 0 | 0 | 1 | 2 | 5 | less than -50 °F (USCG, 1999) | 96 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
ALLYL ACETATE | 000591-87-7 | 11,584 | prop-2-enyl acetate | CC(=O)OCC=C | InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3 | FWZUNOYOVVKUNF-UHFFFAOYSA-N | C5H8O2 | 100.12 | 100.05243 | 1 | 26.3 | 76 | 0 | 0 | 2 | 3 | 7 | 72 °F (NFPA, 2010) | 103.5 °C | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Guanidine, dodecyl-, acetate mixed with sodium nitrite (3:5) | null | 3,520 | guanidine | C(=N)(N)N | InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4) | ZRALSGWEFCBTJO-UHFFFAOYSA-N | CH5N3 | 59.07 | 59.048347 | -1.3 | 75.9 | 26 | 0 | 3 | 1 | 0 | 4 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TRIMETHYLSILYL ACETATE | 002754-27-0 | 75,988 | trimethylsilyl acetate | CC(=O)O[Si](C)(C)C | InChI=1S/C5H12O2Si/c1-5(6)7-8(2,3)4/h1-4H3 | QHUNJMXHQHHWQP-UHFFFAOYSA-N | C5H12O2Si | 132.23 | 132.060656 | null | 26.3 | 93 | 0 | 0 | 2 | 2 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
MOLYBDENUM METAL (SOLID) | 007439-98-7 | 23,932 | molybdenum | [Mo] | InChI=1S/Mo | ZOKXTWBITQBERF-UHFFFAOYSA-N | Mo | 95.95 | 97.905404 | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | null | 8717 °F at 760 mmHg (NIOSH, 2024) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 |
ACETAL | 000105-57-7 | 7,765 | 1,1-diethoxyethane | CCOC(C)OCC | InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3 | DHKHKXVYLBGOIT-UHFFFAOYSA-N | C6H14O2 | 118.17 | 118.09938 | 0.8 | 18.5 | 39 | 0 | 0 | 2 | 4 | 8 | -5 °F (USCG, 1999) | 216 °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 |
ETHYL ALCOHOL | 000064-17-5 | 702 | ethanol | CCO | InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3 | LFQSCWFLJHTTHZ-UHFFFAOYSA-N | C2H6O | 46.07 | 46.041865 | -0.1 | 20.2 | 2 | 0 | 1 | 1 | 0 | 3 | 55 °F (NTP, 1992) | 173.3 °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 |
(E)-CROTONALDEHYDE | 000123-73-9 | 447,466 | (E)-but-2-enal | C/C=C/C=O | InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+ | MLUCVPSAIODCQM-NSCUHMNNSA-N | C4H6O | 70.09 | 70.041865 | 0.5 | 17.1 | 45 | 0 | 0 | 1 | 1 | 5 | 55 °F (EPA, 1998) | 219 °F at 760 mmHg (EPA, 1998) | 1 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 |
HEXENE-1 | 000592-41-6 | 11,597 | hex-1-ene | CCCCC=C | InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3 | LIKMAJRDDDTEIG-UHFFFAOYSA-N | C6H12 | 84.16 | 84.0939 | 3.4 | 0 | 29 | 0 | 0 | 0 | 3 | 6 | -15 °F (USCG, 1999) | 146.3 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ALLYLAMINE | 000107-11-9 | 7,853 | prop-2-en-1-amine | C=CCN | InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2 | VVJKKWFAADXIJK-UHFFFAOYSA-N | C3H7N | 57.09 | 57.057849 | 0.1 | 26 | 17 | 0 | 1 | 1 | 1 | 4 | -20 °F (EPA, 1998) | 131 to 136 °F at 760 mmHg (EPA, 1998) | 0 | 1 | 1 | 1 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ISOAMYL ALCOHOL | 000123-51-3 | 31,260 | 3-methylbutan-1-ol | CC(C)CCO | InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3 | PHTQWCKDNZKARW-UHFFFAOYSA-N | C5H12O | 88.15 | 88.088815 | 1.2 | 20.2 | 25 | 0 | 1 | 1 | 2 | 6 | 114 °F (USCG, 1999) | 270 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
DECANE | 000124-18-5 | 15,600 | decane | CCCCCCCCCC | InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3 | DIOQZVSQGTUSAI-UHFFFAOYSA-N | C10H22 | 142.28 | 142.172151 | 5 | 0 | 40 | 0 | 0 | 0 | 7 | 10 | 115 °F (NTP, 1992) | 345.4 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ETHYL MERCAPTOACETATE | 000623-51-8 | 12,185 | ethyl 2-sulfanylacetate | CCOC(=O)CS | InChI=1S/C4H8O2S/c1-2-6-4(5)3-7/h7H,2-3H2,1H3 | PVBRSNZAOAJRKO-UHFFFAOYSA-N | C4H8O2S | 120.17 | 120.024501 | 0.8 | 27.3 | 62 | 0 | 1 | 3 | 3 | 7 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
N,N-DIETHYLETHYLENEDIAMINE | 000100-36-7 | 60,993 | N',N'-diethylethane-1,2-diamine | CCN(CC)CCN | InChI=1S/C6H16N2/c1-3-8(4-2)6-5-7/h3-7H2,1-2H3 | UDGSVBYJWHOHNN-UHFFFAOYSA-N | C6H16N2 | 116.2 | 116.131349 | 0.2 | 29.3 | 41 | 0 | 1 | 2 | 4 | 8 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
BUTYL CHLOROFORMATE | 000592-34-7 | 61,140 | butyl carbonochloridate | CCCCOC(=O)Cl | InChI=1S/C5H9ClO2/c1-2-3-4-8-5(6)7/h2-4H2,1H3 | NRDQFWXVTPZZAZ-UHFFFAOYSA-N | C5H9ClO2 | 136.58 | 136.029107 | 2.8 | 26.3 | 72 | 0 | 0 | 2 | 4 | 8 | 77 °F (USCG, 1999) | 280.4 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
CIS-1,4-DICHLORO-2-BUTENE | 001476-11-5 | 6,432,115 | (Z)-1,4-dichlorobut-2-ene | C(/C=C\CCl)Cl | InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1- | FQDIANVAWVHZIR-UPHRSURJSA-N | C4H6Cl2 | 124.99 | 123.984656 | 1.7 | 0 | 34 | 0 | 0 | 0 | 2 | 6 | null | 152.5 °C | 1 | 1 | 1 | 1 | 0 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-CHLOROETHYL ETHYL SULFIDE | 000693-07-2 | 12,733 | 1-chloro-2-ethylsulfanylethane | CCSCCCl | InChI=1S/C4H9ClS/c1-2-6-4-3-5/h2-4H2,1H3 | GBNVXYXIRHSYEG-UHFFFAOYSA-N | C4H9ClS | 124.63 | 124.011349 | 1.8 | 25.3 | 23 | 0 | 0 | 1 | 3 | 6 | null | 156 °C | 0 | 1 | 1 | 1 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
DIETHYLAMINOSULFUR TRIFLUORIDE | 038078-09-0 | 123,472 | N-ethyl-N-(trifluoro-lambda4-sulfanyl)ethanamine | CCN(CC)S(F)(F)F | InChI=1S/C4H10F3NS/c1-3-8(4-2)9(5,6)7/h3-4H2,1-2H3 | CSJLBAMHHLJAAS-UHFFFAOYSA-N | C4H10F3NS | 161.19 | 161.048605 | 3.5 | 4.2 | 78 | 0 | 0 | 5 | 2 | 9 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ACETIC-D3 ACID-D | 001186-52-3 | 2,723,903 | deuterio 2,2,2-trideuterioacetate | [2H]C([2H])([2H])C(=O)O[2H] | InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3/hD | QTBSBXVTEAMEQO-GUEYOVJQSA-N | C2H4O2 | 64.08 | 64.046236 | -0.2 | 37.3 | 31 | 0 | 1 | 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 |
5-NONANONE | 000502-56-7 | 10,405 | nonan-5-one | CCCCC(=O)CCCC | InChI=1S/C9H18O/c1-3-5-7-9(10)8-6-4-2/h3-8H2,1-2H3 | WSGCRAOTEDLMFQ-UHFFFAOYSA-N | C9H18O | 142.24 | 142.135765 | 2.7 | 17.1 | 76 | 0 | 0 | 1 | 6 | 10 | 60 °C (closed cup) | 370 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 |
METHYL CHLOROACETATE | 000096-34-4 | 7,295 | methyl 2-chloroacetate | COC(=O)CCl | InChI=1S/C3H5ClO2/c1-6-3(5)2-4/h2H2,1H3 | QABLOFMHHSOFRJ-UHFFFAOYSA-N | C3H5ClO2 | 108.52 | 107.997807 | 0.7 | 26.3 | 52 | 0 | 0 | 2 | 2 | 6 | 125 °F (USCG, 1999) | 266 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
DIISOBUTYLAMINE | 000110-96-3 | 8,085 | 2-methyl-N-(2-methylpropyl)propan-1-amine | CC(C)CNCC(C)C | InChI=1S/C8H19N/c1-7(2)5-9-6-8(3)4/h7-9H,5-6H2,1-4H3 | NJBCRXCAPCODGX-UHFFFAOYSA-N | C8H19N | 129.24 | 129.15175 | 2.5 | 12 | 49 | 0 | 1 | 1 | 4 | 9 | 85 °F (NTP, 1992) | 282 to 284 °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 |
MALONYL DICHLORIDE | 001663-67-8 | 74,269 | propanedioyl dichloride | C(C(=O)Cl)C(=O)Cl | InChI=1S/C3H2Cl2O2/c4-2(6)1-3(5)7/h1H2 | SXYFKXOFMCIXQW-UHFFFAOYSA-N | C3H2Cl2O2 | 140.95 | 139.943185 | 1.5 | 34.1 | 87 | 0 | 0 | 2 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TERT-OCTYLAMINE | 000107-45-9 | 61,017 | 2,4,4-trimethylpentan-2-amine | CC(C)(C)CC(C)(C)N | InChI=1S/C8H19N/c1-7(2,3)6-8(4,5)9/h6,9H2,1-5H3 | QIJIUJYANDSEKG-UHFFFAOYSA-N | C8H19N | 129.24 | 129.15175 | 2 | 26 | 87 | 0 | 1 | 1 | 2 | 9 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
N,N,N',N-TETRAMETHYL-1,3-PROPANEDIAMINE | 000110-95-2 | 8,084 | N,N,N',N'-tetramethylpropane-1,3-diamine | CN(C)CCCN(C)C | InChI=1S/C7H18N2/c1-8(2)6-5-7-9(3)4/h5-7H2,1-4H3 | DMQSHEKGGUOYJS-UHFFFAOYSA-N | C7H18N2 | 130.23 | 130.146999 | 0.7 | 6.5 | 51 | 0 | 0 | 2 | 4 | 9 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TRIDECAFLUORO-1,1,2,2-TETRAHYDROOCTYL-1-DIMETHYLCHLOROSILANE | 102488-47-1 | 145,382 | chloro-dimethyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane | C[Si](C)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cl | InChI=1S/C10H10ClF13Si/c1-25(2,11)4-3-5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)24/h3-4H2,1-2H3 | AKYGPHVLITVSJE-UHFFFAOYSA-N | C10H10ClF13Si | 440.7 | 440.003271 | null | 0 | 482 | 0 | 0 | 13 | 7 | 25 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
3,3,3-TRIFLUOROPROPAN-1-OL | 002240-88-2 | 137,512 | 3,3,3-trifluoropropan-1-ol | C(CO)C(F)(F)F | InChI=1S/C3H5F3O/c4-3(5,6)1-2-7/h7H,1-2H2 | HDBGBTNNPRCVND-UHFFFAOYSA-N | C3H5F3O | 114.07 | 114.029249 | 0.4 | 20.2 | 48 | 0 | 1 | 4 | 1 | 7 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
N-METHYL-1,3-PROPANEDIAMINE | 006291-84-5 | 80,511 | N'-methylpropane-1,3-diamine | CNCCCN | InChI=1S/C4H12N2/c1-6-4-2-3-5/h6H,2-5H2,1H3 | QHJABUZHRJTCAR-UHFFFAOYSA-N | C4H12N2 | 88.15 | 88.100048 | -0.8 | 38.1 | 21 | 0 | 2 | 2 | 3 | 6 | 96 °F (NTP, 1992) | 282 to 286 °F at 760 mmHg (NTP, 1992) | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
3-ISOCYANATO-1-PROPENE | 001476-23-9 | 15,123 | 3-isocyanatoprop-1-ene | C=CCN=C=O | InChI=1S/C4H5NO/c1-2-3-5-4-6/h2H,1,3H2 | HXBPYFMVGFDZFT-UHFFFAOYSA-N | C4H5NO | 83.09 | 83.037114 | 1.8 | 29.4 | 81 | 0 | 0 | 2 | 2 | 6 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 0 |
3,4-HEXANEDIONE | 004437-51-8 | 62,539 | hexane-3,4-dione | CCC(=O)C(=O)CC | InChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3 | KVFQMAZOBTXCAZ-UHFFFAOYSA-N | C6H10O2 | 114.14 | 114.06808 | 0.5 | 34.1 | 91 | 0 | 0 | 2 | 3 | 8 | null | 123.00 to 125.00 °C. @ 760.00 mm Hg | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
METHANETHIOL, SODIUM SALT | 005188-07-8 | 4,378,561 | sodium methanethiolate | C[S-].[Na+] | InChI=1S/CH4S.Na/c1-2;/h2H,1H3;/q;+1/p-1 | RMBAVIFYHOYIFM-UHFFFAOYSA-M | CH3NaS | 70.09 | 69.985316 | null | 1 | 4 | 0 | 0 | 1 | 0 | 3 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TETRAMETHYL-D12 ORTHOSILICATE | 080396-70-9 | 16,212,519 | tetrakis(trideuteriomethyl) silicate | [2H]C([2H])([2H])O[Si](OC([2H])([2H])[2H])(OC([2H])([2H])[2H])OC([2H])([2H])[2H] | InChI=1S/C4H12O4Si/c1-5-9(6-2,7-3)8-4/h1-4H3/i1D3,2D3,3D3,4D3 | LFQCEHFDDXELDD-MGKWXGLJSA-N | C4H12O4Si | 164.29 | 164.125806 | null | 36.9 | 55 | 0 | 0 | 4 | 4 | 9 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ETHYLENE-D4-DIAMINE | 037164-19-5 | 12,200,820 | 1,1,2,2-tetradeuterioethane-1,2-diamine | [2H]C([2H])(C([2H])([2H])N)N | InChI=1S/C2H8N2/c3-1-2-4/h1-4H2/i1D2,2D2 | PIICEJLVQHRZGT-LNLMKGTHSA-N | C2H8N2 | 64.12 | 64.093855 | -2 | 52 | 6 | 0 | 2 | 2 | 1 | 4 | null | null | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 0 |
N-BUTANOL (D10 98%) | 034193-38-9 | 2,733,134 | 1,1,1,2,2,3,3,4,4-nonadeuterio-4-deuteriooxybutane | [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])O[2H] | InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3/i1D3,2D2,3D2,4D2,5D | LRHPLDYGYMQRHN-NWURLDAXSA-N | C4H10O | 84.18 | 84.135932 | 0.9 | 20.2 | 13 | 0 | 1 | 1 | 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-BROMO-3-METHOXYPROPANE | 036865-41-5 | 524,551 | 1-bromo-3-methoxypropane | COCCCBr | InChI=1S/C4H9BrO/c1-6-4-2-3-5/h2-4H2,1H3 | CEVMYGZHEJSOHZ-UHFFFAOYSA-N | C4H9BrO | 153.02 | 151.98368 | 1.2 | 9.2 | 23 | 0 | 0 | 1 | 3 | 6 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ETHYL ISOTHIOCYANATOFORMATE | 016182-04-0 | 85,320 | ethyl N-(sulfanylidenemethylidene)carbamate | CCOC(=O)N=C=S | InChI=1S/C4H5NO2S/c1-2-7-4(6)5-3-8/h2H2,1H3 | BDTDECDAHYOJRO-UHFFFAOYSA-N | C4H5NO2S | 131.16 | 131.0041 | 2.3 | 70.8 | 128 | 0 | 0 | 3 | 2 | 8 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 1 |
2,8-DECADIYNE | 004116-93-2 | 20,066 | deca-2,8-diyne | CC#CCCCCC#CC | InChI=1S/C10H14/c1-3-5-7-9-10-8-6-4-2/h7-10H2,1-2H3 | KORPQWPYEOSKGV-UHFFFAOYSA-N | C10H14 | 134.22 | 134.10955 | 3.5 | 0 | 161 | 0 | 0 | 0 | 3 | 10 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
METHANESULFONIC ACID, 1,1,1-TRIFLUORO-2,2,3,3,3-PENTAFLUOROPROPYL ESTER | 006401-00-9 | 2,776,019 | 2,2,3,3,3-pentafluoropropyl trifluoromethanesulfonate | C(C(C(F)(F)F)(F)F)OS(=O)(=O)C(F)(F)F | InChI=1S/C4H2F8O3S/c5-2(6,3(7,8)9)1-15-16(13,14)4(10,11)12/h1H2 | QHZUUSNAUOEJBB-UHFFFAOYSA-N | C4H2F8O3S | 282.11 | 281.95969 | 2.6 | 51.8 | 332 | 0 | 0 | 11 | 3 | 16 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
N-BUTANOL (D9, 98%) | 025493-17-8 | 54,048,623 | 1,1,2,2,3,3,4,4,4-nonadeuteriobutan-1-ol | [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])O | InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3/i1D3,2D2,3D2,4D2 | LRHPLDYGYMQRHN-YNSOAAEFSA-N | C4H10O | 83.18 | 83.129656 | 0.9 | 20.2 | 13 | 0 | 1 | 1 | 2 | 5 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-METHYLVALERYL CHLORIDE | 005238-27-7 | 107,385 | 2-methylpentanoyl chloride | CCCC(C)C(=O)Cl | InChI=1S/C6H11ClO/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3 | MFIQXAVMTLKUJR-UHFFFAOYSA-N | C6H11ClO | 134.6 | 134.049843 | 2.8 | 17.1 | 80 | 0 | 0 | 1 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-PROPYN-1-OL, ACETATE | 000627-09-8 | 69,388 | prop-2-ynyl acetate | CC(=O)OCC#C | InChI=1S/C5H6O2/c1-3-4-7-5(2)6/h1H,4H2,2H3 | RIZZXCJMFIGMON-UHFFFAOYSA-N | C5H6O2 | 98.1 | 98.036779 | 0.2 | 26.3 | 106 | 0 | 0 | 2 | 2 | 7 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-BUTENAL, 3-METHYL- | 000107-86-8 | 61,020 | 3-methylbut-2-enal | CC(=CC=O)C | InChI=1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3 | SEPQTYODOKLVSB-UHFFFAOYSA-N | C5H8O | 84.12 | 84.057515 | 1.2 | 17.1 | 68 | 0 | 0 | 1 | 1 | 6 | 37 °C | 134 °C | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
2-PENTANETHIOL, 2,4,4-TRIMETHYL- | 000141-59-3 | 8,851 | 2,4,4-trimethylpentane-2-thiol | CC(C)(C)CC(C)(C)S | InChI=1S/C8H18S/c1-7(2,3)6-8(4,5)9/h9H,6H2,1-5H3 | QZLAEIZEPJAELS-UHFFFAOYSA-N | C8H18S | 146.3 | 146.112922 | 3.2 | 1 | 87 | 0 | 1 | 1 | 2 | 9 | 115 °F (46 °C) (Open cup) | 154-166 °C | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
BUTANOIC ACID, 2-CHLORO-3-OXO-, ETHYL ESTER | 000609-15-4 | 11,858 | ethyl 2-chloro-3-oxobutanoate | CCOC(=O)C(C(=O)C)Cl | InChI=1S/C6H9ClO3/c1-3-10-6(9)5(7)4(2)8/h5H,3H2,1-2H3 | RDULEYWUGKOCMR-UHFFFAOYSA-N | C6H9ClO3 | 164.59 | 164.024022 | 1.1 | 43.4 | 144 | 0 | 0 | 3 | 4 | 10 | null | null | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PENTANE, 2-IODO- | 000637-97-8 | 12,513 | 2-iodopentane | CCCC(C)I | InChI=1S/C5H11I/c1-3-4-5(2)6/h5H,3-4H2,1-2H3 | JUPBFIYJUCWJCT-UHFFFAOYSA-N | C5H11I | 198.05 | 197.99055 | 3.4 | 0 | 27 | 0 | 0 | 0 | 2 | 6 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 1 |
DISILANE, CHLOROPENTAMETHYL- | 001560-28-7 | 73,795 | chloro-dimethyl-trimethylsilylsilane | C[Si](C)(C)[Si](C)(C)Cl | InChI=1S/C5H15ClSi2/c1-7(2,3)8(4,5)6/h1-5H3 | GJCAUTWJWBFMFU-UHFFFAOYSA-N | C5H15ClSi2 | 166.79 | 166.040081 | null | 0 | 82 | 0 | 0 | 0 | 1 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
3,7-DIMETHYL-1,6-OCTADIENE | 002436-90-0 | 17,090 | 3,7-dimethylocta-1,6-diene | CC(CCC=C(C)C)C=C | InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,7,10H,1,6,8H2,2-4H3 | FUDNBFMOXDUIIE-UHFFFAOYSA-N | C10H18 | 138.25 | 138.140851 | 4.2 | 0 | 116 | 0 | 0 | 0 | 4 | 10 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
SILANE, DICHLOROMETHYLPROPYL- | 004518-94-9 | 78,275 | dichloro-methyl-propylsilane | CCC[Si](C)(Cl)Cl | InChI=1S/C4H10Cl2Si/c1-3-4-7(2,5)6/h3-4H2,1-2H3 | GNVPGBIHGALKRR-UHFFFAOYSA-N | C4H10Cl2Si | 157.11 | 155.992882 | null | 0 | 53 | 0 | 0 | 0 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PEROXIDE, (1-METHYLPROPYLIDENE)BIS[(1,1-DIMETHYLPROPYL) | 013653-62-8 | 83,636 | 2-methyl-2-[2-(2-methylbutan-2-ylperoxy)butan-2-ylperoxy]butane | CCC(C)(C)OOC(C)(CC)OOC(C)(C)CC | InChI=1S/C14H30O4/c1-9-12(4,5)15-17-14(8,11-3)18-16-13(6,7)10-2/h9-11H2,1-8H3 | IVOIHMSMNONJSR-UHFFFAOYSA-N | C14H30O4 | 262.39 | 262.214409 | 4.3 | 36.9 | 216 | 0 | 0 | 4 | 9 | 18 | null | null | 1 | 0 | 0 | 1 | 1 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 |
PROPANAL, 3-(DIMETHYLAMINO)-2,2-DIMETHYL- | 015451-14-6 | 84,921 | 3-(dimethylamino)-2,2-dimethylpropanal | CC(C)(CN(C)C)C=O | InChI=1S/C7H15NO/c1-7(2,6-9)5-8(3)4/h6H,5H2,1-4H3 | NYUOVICEZDPRBR-UHFFFAOYSA-N | C7H15NO | 129.2 | 129.115364 | 0.6 | 20.3 | 97 | 0 | 0 | 2 | 3 | 9 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
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