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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
SILANE, DICHLORO(2-CHLOROETHYL)METHYL- | 007787-85-1 | 82,234 | dichloro-(2-chloroethyl)-methylsilane | C[Si](CCCl)(Cl)Cl | InChI=1S/C3H7Cl3Si/c1-7(5,6)3-2-4/h2-3H2,1H3 | DBWSTBGNSJEPFT-UHFFFAOYSA-N | C3H7Cl3Si | 177.53 | 175.93826 | null | 0 | 54 | 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 |
SILANE, DICHLORO(3-CHLOROPROPYL)METHYL- | 007787-93-1 | 82,235 | dichloro-(3-chloropropyl)-methylsilane | C[Si](CCCCl)(Cl)Cl | InChI=1S/C4H9Cl3Si/c1-8(6,7)4-2-3-5/h2-4H2,1H3 | UCJHMXXKIKBHQP-UHFFFAOYSA-N | C4H9Cl3Si | 191.55 | 189.95391 | null | 0 | 64 | 0 | 0 | 0 | 3 | 8 | null | null | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-BUTENOYL CHLORIDE | 010487-71-5 | 79,080 | but-2-enoyl chloride | CC=CC(=O)Cl | InChI=1S/C4H5ClO/c1-2-3-4(5)6/h2-3H,1H3 | RJUIDDKTATZJFE-UHFFFAOYSA-N | C4H5ClO | 104.53 | 104.002893 | 1.6 | 17.1 | 75 | 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 |
SILANE, (CHLOROMETHYL)ETHOXYDIMETHYL- | 013508-53-7 | 26,073 | chloromethyl-ethoxy-dimethylsilane | CCO[Si](C)(C)CCl | InChI=1S/C5H13ClOSi/c1-4-7-8(2,3)5-6/h4-5H2,1-3H3 | IGMQAYXTTRYCPZ-UHFFFAOYSA-N | C5H13ClOSi | 152.69 | 152.042419 | null | 9.2 | 65 | 0 | 0 | 1 | 3 | 8 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
DISILANE, 1,1,2-TRICHLORO-1,2,2-TRIMETHYL- | 013528-88-6 | 83,551 | dichloro-[chloro(dimethyl)silyl]-methylsilane | C[Si](C)([Si](C)(Cl)Cl)Cl | InChI=1S/C3H9Cl3Si2/c1-7(2,4)8(3,5)6/h1-3H3 | KTPJDYNQZVAFBU-UHFFFAOYSA-N | C3H9Cl3Si2 | 207.63 | 205.930836 | null | 0 | 90 | 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 |
GUANIDINE, DODECYL-, MONOHYDROCHLORIDE | 013590-97-1 | 61,649 | 2-dodecylguanidine;hydrochloride | CCCCCCCCCCCCN=C(N)N.Cl | InChI=1S/C13H29N3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;/h2-12H2,1H3,(H4,14,15,16);1H | CGMKPKRNUNDACU-UHFFFAOYSA-N | C13H30ClN3 | 263.85 | 263.212826 | null | 64.4 | 163 | 0 | 3 | 1 | 11 | 17 | null | null | 1 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SILANE, (3-BROMOPROPYL)TRICHLORO- | 013883-39-1 | 83,792 | 3-bromopropyl(trichloro)silane | C(C[Si](Cl)(Cl)Cl)CBr | InChI=1S/C3H6BrCl3Si/c4-2-1-3-8(5,6)7/h1-3H2 | UUNGBOQAZQUJMZ-UHFFFAOYSA-N | C3H6BrCl3Si | 256.42 | 253.84877 | null | 0 | 62 | 0 | 0 | 0 | 2 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1-PROPANAMINE, 3-(TRIDECYLOXY)- | 014676-61-0 | 84,589 | 3-tridecoxypropan-1-amine | CCCCCCCCCCCCCOCCCN | InChI=1S/C16H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17/h2-17H2,1H3 | JPNCZSADMGXVPA-UHFFFAOYSA-N | C16H35NO | 257.45 | 257.271865 | 5.6 | 35.3 | 139 | 0 | 1 | 2 | 15 | 18 | null | null | 1 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1-PROPANOL, 2-(DIMETHYLAMINO)- | 015521-18-3 | 85,865 | 2-(dimethylamino)propan-1-ol | CC(CO)N(C)C | InChI=1S/C5H13NO/c1-5(4-7)6(2)3/h5,7H,4H2,1-3H3 | PBKGYWLWIJLDGZ-UHFFFAOYSA-N | C5H13NO | 103.16 | 103.099714 | 0 | 23.5 | 45 | 0 | 1 | 2 | 2 | 7 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
CARBONOCHLORIDIC ACID, 1-METHYLPROPYL ESTER | 017462-58-7 | 11,829,505 | butan-2-yl carbonochloridate | CCC(C)OC(=O)Cl | InChI=1S/C5H9ClO2/c1-3-4(2)8-5(6)7/h4H,3H2,1-2H3 | YSMHTFWPDRJCMN-UHFFFAOYSA-N | C5H9ClO2 | 136.58 | 136.029107 | 2.8 | 26.3 | 82 | 0 | 0 | 2 | 3 | 8 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
SILANE, DICHLORO(1,1-DIMETHYLETHYL)METHYL- | 018147-18-7 | 87,473 | tert-butyl-dichloro-methylsilane | CC(C)(C)[Si](C)(Cl)Cl | InChI=1S/C5H12Cl2Si/c1-5(2,3)8(4,6)7/h1-4H3 | CAJIIZKPZKCXOG-UHFFFAOYSA-N | C5H12Cl2Si | 171.14 | 170.008532 | 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 |
SILANE, CHLORO(DICHLOROMETHYL)DIMETHYL- | 018171-59-0 | 87,493 | chloro-(dichloromethyl)-dimethylsilane | C[Si](C)(C(Cl)Cl)Cl | InChI=1S/C3H7Cl3Si/c1-7(2,6)3(4)5/h3H,1-2H3 | OICVMMJHLFRGHF-UHFFFAOYSA-N | C3H7Cl3Si | 177.53 | 175.93826 | null | 0 | 61 | 0 | 0 | 0 | 1 | 7 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1-PROPANOL, 3-(DIMETHYLAMINO)-2,2-DIMETHYL- | 019059-68-8 | 87,919 | 3-(dimethylamino)-2,2-dimethylpropan-1-ol | CC(C)(CN(C)C)CO | InChI=1S/C7H17NO/c1-7(2,6-9)5-8(3)4/h9H,5-6H2,1-4H3 | PYEWZDAEJUUIJX-UHFFFAOYSA-N | C7H17NO | 131.22 | 131.131014 | 0.8 | 23.5 | 79 | 0 | 1 | 2 | 3 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-BUTENAL, 2-ETHYL- | 019780-25-7 | 5,362,897 | (E)-2-ethylbut-2-enal | CC/C(=C\C)/C=O | InChI=1S/C6H10O/c1-3-6(4-2)5-7/h3,5H,4H2,1-2H3/b6-3+ | IQGZCSXWIRBTRW-ZZXKWVIFSA-N | C6H10O | 98.14 | 98.073165 | 1.4 | 17.1 | 82 | 0 | 0 | 1 | 2 | 7 | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
5-HEXYN-3-OL | 019780-84-8 | 89,223 | hex-5-yn-3-ol | CCC(CC#C)O | InChI=1S/C6H10O/c1-3-5-6(7)4-2/h1,6-7H,4-5H2,2H3 | AJYGRAORQSCNED-UHFFFAOYSA-N | C6H10O | 98.14 | 98.073165 | 1.1 | 20.2 | 77 | 0 | 1 | 1 | 2 | 7 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-BUTANONE, 4-(DIMETHYLAMINO)-3-METHYL- | 022104-62-7 | 90,732 | 4-(dimethylamino)-3-methylbutan-2-one | CC(CN(C)C)C(=O)C | InChI=1S/C7H15NO/c1-6(7(2)9)5-8(3)4/h6H,5H2,1-4H3 | SDABKFFSTRDBBD-UHFFFAOYSA-N | C7H15NO | 129.2 | 129.115364 | 0.5 | 20.3 | 99 | 0 | 0 | 2 | 3 | 9 | null | null | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-PENTENENITRILE, (Z)- | 025899-50-7 | 6,433,944 | (Z)-pent-2-enenitrile | CC/C=C\C#N | InChI=1S/C5H7N/c1-2-3-4-5-6/h3-4H,2H2,1H3/b4-3- | ISBHMJZRKAFTGE-ARJAWSKDSA-N | C5H7N | 81.12 | 81.057849 | 1.2 | 23.8 | 83 | 0 | 0 | 1 | 1 | 6 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 |
3-HEPTANAMINE | 028292-42-4 | 34,203 | heptan-3-amine | CCCCC(CC)N | InChI=1S/C7H17N/c1-3-5-6-7(8)4-2/h7H,3-6,8H2,1-2H3 | SRMHHEPXZLWKOK-UHFFFAOYSA-N | C7H17N | 115.22 | 115.1361 | 2 | 26 | 43 | 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 |
2-HEXANAMINE, 5-METHYL- | 028292-43-5 | 34,204 | 5-methylhexan-2-amine | CC(C)CCC(C)N | InChI=1S/C7H17N/c1-6(2)4-5-7(3)8/h6-7H,4-5,8H2,1-3H3 | IZCBXLKODYZSDJ-UHFFFAOYSA-N | C7H17N | 115.22 | 115.1361 | 1.8 | 26 | 50 | 0 | 1 | 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 |
PROPANE, 1-(CHLOROMETHOXY)-2-METHYL- | 034180-11-5 | 118,609 | 1-(chloromethoxy)-2-methylpropane | CC(C)COCCl | InChI=1S/C5H11ClO/c1-5(2)3-7-4-6/h5H,3-4H2,1-2H3 | RRRBNCDKPVHUNU-UHFFFAOYSA-N | C5H11ClO | 122.59 | 122.049843 | 2.1 | 9.2 | 37 | 0 | 0 | 1 | 3 | 7 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-PENTANOL, 5-BROMO- | 034626-51-2 | 118,709 | 5-bromopentan-1-ol | C(CCO)CCBr | InChI=1S/C5H11BrO/c6-4-2-1-3-5-7/h7H,1-5H2 | WJVQJXVMLRGNGA-UHFFFAOYSA-N | C5H11BrO | 167.04 | 165.99933 | 1.4 | 20.2 | 31 | 0 | 1 | 1 | 4 | 7 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PENTANOYL CHLORIDE, 4-METHYL- | 038136-29-7 | 170,008 | 4-methylpentanoyl chloride | CC(C)CCC(=O)Cl | InChI=1S/C6H11ClO/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3 | SVWCVXFHTHCJJB-UHFFFAOYSA-N | C6H11ClO | 134.6 | 134.049843 | 2.4 | 17.1 | 78 | 0 | 0 | 1 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1,3-PROPANEDIAMINE, N,N,2,2-TETRAMETHYL- | 053369-71-4 | 104,477 | N',N',2,2-tetramethylpropane-1,3-diamine | CC(C)(CN)CN(C)C | InChI=1S/C7H18N2/c1-7(2,5-8)6-9(3)4/h5-6,8H2,1-4H3 | ULDIVZQLPBUHAG-UHFFFAOYSA-N | C7H18N2 | 130.23 | 130.146999 | 0.5 | 29.3 | 77 | 0 | 1 | 2 | 3 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
BUTANOIC ACID, 3,3-BIS[(1,1-DIMETHYLPROPYL)DIOXY]-, ETHYL ESTER | 067567-23-1 | 105,436 | ethyl 3,3-bis(2-methylbutan-2-ylperoxy)butanoate | CCC(C)(C)OOC(C)(CC(=O)OCC)OOC(C)(C)CC | InChI=1S/C16H32O6/c1-9-14(4,5)19-21-16(8,12-13(17)18-11-3)22-20-15(6,7)10-2/h9-12H2,1-8H3 | NICWAKGKDIAMOD-UHFFFAOYSA-N | C16H32O6 | 320.42 | 320.219889 | 3.6 | 63.2 | 318 | 0 | 0 | 6 | 12 | 22 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 |
BUTANOIC ACID, 2-HYDROXY-2-METHYL-, ETHYL ESTER, (.+-.)- | 072332-34-4 | 101,536 | ethyl 2-hydroxy-2-methylbutanoate | CCC(C)(C(=O)OCC)O | InChI=1S/C7H14O3/c1-4-7(3,9)6(8)10-5-2/h9H,4-5H2,1-3H3 | KIYWRWLZHQZKKD-UHFFFAOYSA-N | C7H14O3 | 146.18 | 146.094294 | 0.9 | 46.5 | 122 | 0 | 1 | 3 | 4 | 10 | null | null | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
19-ISOCYANATO-11-(6-ISOCYANATOHEXYL)-2,9,11,13-TETRAAZANONADECANETHIOIC ACID | 085702-90-5 | 174,502 | S-(3-trimethoxysilylpropyl) N-[6-[[6-isocyanatohexyl(6-isocyanatohexylcarbamoyl)carbamoyl]amino]hexyl]carbamothioate | CO[Si](CCCSC(=O)NCCCCCCNC(=O)N(CCCCCCN=C=O)C(=O)NCCCCCCN=C=O)(OC)OC | InChI=1S/C29H54N6O8SSi/c1-41-45(42-2,43-3)24-16-23-44-29(40)34-21-14-7-6-13-20-33-28(39)35(22-15-9-8-11-18-31-26-37)27(38)32-19-12-5-4-10-17-30-25-36/h4-24H2,1-3H3,(H,32,38)(H,33,39)(H,34,40) | IUUDMTXXKNFQGD-UHFFFAOYSA-N | C29H54N6O8SSi | 674.9 | 674.34931 | null | 202 | 894 | 0 | 3 | 11 | 29 | 45 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 |
2-PROPANOL, 1-METHOXY-, PROPANOATE | 148462-57-1 | 11,008,049 | 1-methoxypropan-2-yl propanoate | CCC(=O)OC(C)COC | InChI=1S/C7H14O3/c1-4-7(8)10-6(2)5-9-3/h6H,4-5H2,1-3H3 | DOVZUKKPYKRVIK-UHFFFAOYSA-N | C7H14O3 | 146.18 | 146.094294 | 0.9 | 35.5 | 101 | 0 | 0 | 3 | 5 | 10 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
LITHIUM CYANIDE | 002408-36-8 | 75,478 | lithium cyanide | [Li+].[C-]#N | InChI=1S/CN.Li/c1-2;/q-1;+1 | JORQDGTZGKHEEO-UHFFFAOYSA-N | CLiN | 33 | 33.019077 | null | 23.8 | 12 | 0 | 0 | 2 | 0 | 3 | null | null | 1 | 1 | 1 | 1 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ISOPARAFFINIC HYDROCARBON (C9-12 ISOALKANES) | 090622-57-4 | 23,415 | 2-methyldecane | CCCCCCCCC(C)C | InChI=1S/C11H24/c1-4-5-6-7-8-9-10-11(2)3/h11H,4-10H2,1-3H3 | CNPVJWYWYZMPDS-UHFFFAOYSA-N | C11H24 | 156.31 | 156.187801 | 5.9 | 0 | 64 | 0 | 0 | 0 | 7 | 11 | null | 189.30 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
CERIUM METHOXYETHOXIDE | 876107-33-4 | 21,200,429 | cerium(4+);tetrakis(2-methoxyethanolate) | COCC[O-].COCC[O-].COCC[O-].COCC[O-].[Ce+4] | InChI=1S/4C3H7O2.Ce/c4*1-5-3-2-4;/h4*2-3H2,1H3;/q4*-1;+4 | JRRALIVAHBLZSS-UHFFFAOYSA-N | C12H28CeO8 | 440.46 | 440.08387 | null | 129 | 14 | 0 | 0 | 8 | 8 | 21 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 |
BITTER ORANGE FLOWER EXTRACT (TECHNICAL GRADE) | 008028-48-6 | 62,161 | 2,6-dimethyl-10-methylidenedodeca-2,6,11-trienal | CC(=CCCC(=C)C=C)CCC=C(C)C=O | InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,9,11-12H,1-2,6-8,10H2,3-4H3 | NOPLRNXKHZRXHT-UHFFFAOYSA-N | C15H22O | 218.33 | 218.167065 | 4.8 | 17.1 | 305 | 0 | 0 | 1 | 8 | 16 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
STARBURST (PAMAM) DENDRIMER GENERATION | 155773-72-1 | 4,140,276 | N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethyl]amino]propanamide | C(CN(CCC(=O)NCCN)CCN(CCC(=O)NCCN)CCC(=O)NCCN)C(=O)NCCN | InChI=1S/C22H48N10O4/c23-5-9-27-19(33)1-13-31(14-2-20(34)28-10-6-24)17-18-32(15-3-21(35)29-11-7-25)16-4-22(36)30-12-8-26/h1-18,23-26H2,(H,27,33)(H,28,34)(H,29,35)(H,30,36) | SENLDUJVTGGYIH-UHFFFAOYSA-N | C22H48N10O4 | 516.7 | 516.386 | -6.5 | 227 | 524 | 0 | 8 | 10 | 23 | 36 | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
3,3-DIMETHYLHEPTANE | 004032-86-4 | 520,991 | 3,3-dimethylheptane | CCCCC(C)(C)CC | InChI=1S/C9H20/c1-5-7-8-9(3,4)6-2/h5-8H2,1-4H3 | BVAKDOXCVSMKHE-UHFFFAOYSA-N | C9H20 | 128.25 | 128.156501 | 4.7 | 0 | 62 | 0 | 0 | 0 | 4 | 9 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
3,3-DIMETHYLOCTANE | 004110-44-5 | 138,117 | 3,3-dimethyloctane | CCCCCC(C)(C)CC | InChI=1S/C10H22/c1-5-7-8-9-10(3,4)6-2/h5-9H2,1-4H3 | DBULLUBYDONGLT-UHFFFAOYSA-N | C10H22 | 142.28 | 142.172151 | 5.2 | 0 | 72 | 0 | 0 | 0 | 5 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2,3-DIMETHYLHEPTANE | 003074-71-3 | 26,375 | 2,3-dimethylheptane | CCCCC(C)C(C)C | InChI=1S/C9H20/c1-5-6-7-9(4)8(2)3/h8-9H,5-7H2,1-4H3 | WBRFDUJXCLCKPX-UHFFFAOYSA-N | C9H20 | 128.25 | 128.156501 | 4.5 | 0 | 55 | 0 | 0 | 0 | 4 | 9 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
N,N,N',N'-TETRAMETHYL-1,3-BUTANEDIAMINE | 000097-84-7 | 7,350 | 1-N,1-N,3-N,3-N-tetramethylbutane-1,3-diamine | CC(CCN(C)C)N(C)C | InChI=1S/C8H20N2/c1-8(10(4)5)6-7-9(2)3/h8H,6-7H2,1-5H3 | AXFVIWBTKYFOCY-UHFFFAOYSA-N | C8H20N2 | 144.26 | 144.162649 | 1.1 | 6.5 | 79 | 0 | 0 | 2 | 4 | 10 | 114 °F (NTP, 1992) | 329 °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 |
2-(2-BUTOXYETHOXY)ETHYL THIOCYANATE | 000112-56-1 | 8,196 | 2-(2-butoxyethoxy)ethyl thiocyanate | CCCCOCCOCCSC#N | InChI=1S/C9H17NO2S/c1-2-3-4-11-5-6-12-7-8-13-9-10/h2-8H2,1H3 | JVGPVVUTUMQJKL-UHFFFAOYSA-N | C9H17NO2S | 203.3 | 203.098 | 1.7 | 67.6 | 144 | 0 | 0 | 4 | 9 | 13 | 125 °F CC | 248 to 257 °F at 0.25 mmHg (NTP, 1992) | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1,1'-TELLUROBISETHANE | 000627-54-3 | 69,394 | ethyltellanylethane | CC[Te]CC | InChI=1S/C4H10Te/c1-3-5-4-2/h3-4H2,1-2H3 | ILXWFJOFKUNZJA-UHFFFAOYSA-N | C4H10Te | 185.7 | 187.984473 | null | 0 | 11 | 0 | 0 | 0 | 2 | 5 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
4-ETHYLHEPTANE | 002216-32-2 | 16,663 | 4-ethylheptane | CCCC(CC)CCC | InChI=1S/C9H20/c1-4-7-9(6-3)8-5-2/h9H,4-8H2,1-3H3 | XMROPFQWHHUFFS-UHFFFAOYSA-N | C9H20 | 128.25 | 128.156501 | 4.8 | 0 | 42 | 0 | 0 | 0 | 5 | 9 | null | null | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
HYDRAZINE-D4 MONODEUTERATE | null | 16,217,612 | deuterated water;1,1,2,2-tetradeuteriohydrazine | [2H]N([2H])N([2H])[2H].[2H]O[2H] | InChI=1S/H4N2.H2O/c1-2;/h1-2H2;1H2/i/hD6 | IKDUDTNKRLTJSI-YIKVAAQNSA-N | H6N2O | 56.098 | 56.085673 | null | 53 | 0 | 0 | 3 | 3 | 0 | 3 | null | null | 1 | 1 | 1 | 1 | 0 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 0 |
COBALT (II) 2-METHOXYETHOXIDE | null | 22,600,163 | cobalt(2+);bis(2-methoxyethanolate) | COCC[O-].COCC[O-].[Co+2] | InChI=1S/2C3H7O2.Co/c2*1-5-3-2-4;/h2*2-3H2,1H3;/q2*-1;+2 | BFBNUELICQBJBC-UHFFFAOYSA-N | C6H14CoO4 | 209.11 | 209.022402 | null | 64.6 | 14 | 0 | 0 | 4 | 4 | 11 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 |
NITROMETHANE | 000075-52-5 | 6,375 | nitromethane | C[N+](=O)[O-] | InChI=1S/CH3NO2/c1-2(3)4/h1H3 | LYGJENNIWJXYER-UHFFFAOYSA-N | CH3NO2 | 61.04 | 61.016378 | 0.1 | 45.8 | 27 | 0 | 0 | 2 | 0 | 4 | 95 °F (NTP, 1992) | 214.2 °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 |
SEC-BUTYL ALCOHOL | 000078-92-2 | 6,568 | butan-2-ol | CCC(C)O | InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3 | BTANRVKWQNVYAZ-UHFFFAOYSA-N | C4H10O | 74.12 | 74.073165 | 0.6 | 20.2 | 19 | 0 | 1 | 1 | 1 | 5 | 75 °F (NIOSH, 2024) | 211 °F at 760 mmHg (NIOSH, 2024) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
ETHYL CARBONATE | 000105-58-8 | 7,766 | diethyl carbonate | CCOC(=O)OCC | InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3 | OIFBSDVPJOWBCH-UHFFFAOYSA-N | C5H10O3 | 118.13 | 118.062994 | 1.2 | 35.5 | 62 | 0 | 0 | 3 | 4 | 8 | 77 °F (NTP, 1992) | 259 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
METHYL N-AMYL KETONE | 000110-43-0 | 8,051 | heptan-2-one | CCCCCC(=O)C | InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3 | CATSNJVOTSVZJV-UHFFFAOYSA-N | C7H14O | 114.19 | 114.104465 | 2 | 17.1 | 66 | 0 | 0 | 1 | 4 | 8 | 102 °F (USCG, 1999) | 300 °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 |
MESITYL OXIDE | 000141-79-7 | 8,858 | 4-methylpent-3-en-2-one | CC(=CC(=O)C)C | InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3 | SHOJXDKTYKFBRD-UHFFFAOYSA-N | C6H10O | 98.14 | 98.073165 | 1.4 | 17.1 | 96 | 0 | 0 | 1 | 1 | 7 | 73 °F (USCG, 1999) | 266 °F at 760 mmHg (USCG, 1999) | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ISOPROPYL IODIDE | 000075-30-9 | 6,362 | 2-iodopropane | CC(C)I | InChI=1S/C3H7I/c1-3(2)4/h3H,1-2H3 | FMKOJHQHASLBPH-UHFFFAOYSA-N | C3H7I | 169.99 | 169.95925 | 2.3 | 0 | 10 | 0 | 0 | 0 | 0 | 4 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PROPYLENE BROMIDE | 000078-75-1 | 6,553 | 1,2-dibromopropane | CC(CBr)Br | InChI=1S/C3H6Br2/c1-3(5)2-4/h3H,2H2,1H3 | XFNJYAKDBJUJAJ-UHFFFAOYSA-N | C3H6Br2 | 201.89 | 201.88158 | 2.2 | 0 | 20 | 0 | 0 | 0 | 1 | 5 | Flash point: <-75 °C | 284 to 288 °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 |
N-BUTYL ETHER | 000142-96-1 | 8,909 | 1-butoxybutane | CCCCOCCCC | InChI=1S/C8H18O/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3 | DURPTKYDGMDSBL-UHFFFAOYSA-N | C8H18O | 130.23 | 130.135765 | 3.2 | 9.2 | 37 | 0 | 0 | 1 | 6 | 9 | 77 °F (NTP, 1992) | 288 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ACETYLACETONE | 000123-54-6 | 31,261 | pentane-2,4-dione | CC(=O)CC(=O)C | InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3 | YRKCREAYFQTBPV-UHFFFAOYSA-N | C5H8O2 | 100.12 | 100.05243 | 0.4 | 34.1 | 82 | 0 | 0 | 2 | 2 | 7 | 93 °F (USCG, 1999) | 284.7 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
N-AMYL ALCOHOL | 000071-41-0 | 6,276 | pentan-1-ol | CCCCCO | InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3 | AMQJEAYHLZJPGS-UHFFFAOYSA-N | C5H12O | 88.15 | 88.088815 | 1.6 | 20.2 | 19 | 0 | 1 | 1 | 3 | 6 | 91 °F (NTP, 1992) | 280 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
AMYL ACETATE | 000628-63-7 | 12,348 | pentyl acetate | CCCCCOC(=O)C | InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3 | PGMYKACGEOXYJE-UHFFFAOYSA-N | C7H14O2 | 130.18 | 130.09938 | 1.9 | 26.3 | 79 | 0 | 0 | 2 | 5 | 9 | (n-) 91 °F (cc); (all isomers) 106F (cc); (iso-) 69 °F (cc) (USCG, 1999) | 295 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
N-AMYL BROMIDE | 000110-53-2 | 8,057 | 1-bromopentane | CCCCCBr | InChI=1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3 | YZWKKMVJZFACSU-UHFFFAOYSA-N | C5H11Br | 151.04 | 150.00441 | 3.4 | 0 | 19 | 0 | 0 | 0 | 3 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1,3-BUTANEDIOL | 000107-88-0 | 7,896 | butane-1,3-diol | CC(CCO)O | InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3 | PUPZLCDOIYMWBV-UHFFFAOYSA-N | C4H10O2 | 90.12 | 90.06808 | -0.4 | 40.5 | 28 | 0 | 2 | 2 | 2 | 6 | 121 °C | 207.5 °C | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
DIISOBUTYL KETONE | 000108-83-8 | 7,958 | 2,6-dimethylheptan-4-one | CC(C)CC(=O)CC(C)C | InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3 | PTTPXKJBFFKCEK-UHFFFAOYSA-N | C9H18O | 142.24 | 142.135765 | 2.5 | 17.1 | 91 | 0 | 0 | 1 | 4 | 10 | 140 °F (NTP, 1992) | 331 °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 | 1 |
ETHYL ORTHOFORMATE | 000122-51-0 | 31,214 | diethoxymethoxyethane | CCOC(OCC)OCC | InChI=1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3 | GKASDNZWUGIAMG-UHFFFAOYSA-N | C7H16O3 | 148.2 | 148.109944 | 1.2 | 27.7 | 51 | 0 | 0 | 3 | 6 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ETHYL ORTHOSILICATE | 000078-10-4 | 6,517 | tetraethyl silicate | CCO[Si](OCC)(OCC)OCC | InChI=1S/C8H20O4Si/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3 | BOTDANWDWHJENH-UHFFFAOYSA-N | C8H20O4Si | 208.33 | 208.113086 | null | 36.9 | 91 | 0 | 0 | 4 | 8 | 13 | 99 °F (USCG, 1999) | 336 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
HEPTANAL | 000111-71-7 | 8,130 | heptanal | CCCCCCC=O | InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3 | FXHGMKSSBGDXIY-UHFFFAOYSA-N | C7H14O | 114.19 | 114.104465 | 2.3 | 17.1 | 50 | 0 | 0 | 1 | 5 | 8 | 95 °F (NTP, 1992) | 307 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
N-HEXYL CHLORIDE | 000544-10-5 | 10,992 | 1-chlorohexane | CCCCCCCl | InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3 | MLRVZFYXUZQSRU-UHFFFAOYSA-N | C6H13Cl | 120.62 | 120.070578 | 3.6 | 0 | 27 | 0 | 0 | 0 | 4 | 7 | 95 °F (NFPA, 2010) | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
BUTYL ACRYLATE | 000141-32-2 | 8,846 | butyl prop-2-enoate | CCCCOC(=O)C=C | InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3 | CQEYYJKEWSMYFG-UHFFFAOYSA-N | C7H12O2 | 128.17 | 128.08373 | 2.4 | 26.3 | 97 | 0 | 0 | 2 | 5 | 9 | 120 °F (NTP, 1992) | 295 to 298 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
ETHYL BUTYL KETONE | 000106-35-4 | 7,802 | heptan-3-one | CCCCC(=O)CC | InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3 | NGAZZOYFWWSOGK-UHFFFAOYSA-N | C7H14O | 114.19 | 114.104465 | 1.8 | 17.1 | 66 | 0 | 0 | 1 | 4 | 8 | 115 °F (USCG, 1999) | 297 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
METHYL AMYL ALCOHOL | 000108-11-2 | 7,910 | 4-methylpentan-2-ol | CC(C)CC(C)O | InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3 | WVYWICLMDOOCFB-UHFFFAOYSA-N | C6H14O | 102.17 | 102.104465 | 1.7 | 20.2 | 41 | 0 | 1 | 1 | 2 | 7 | 106 °F (USCG, 1999) | 269.2 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
METHYL ISOAMYL KETONE | 000110-12-3 | 8,034 | 5-methylhexan-2-one | CC(C)CCC(=O)C | InChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3 | FFWSICBKRCICMR-UHFFFAOYSA-N | C7H14O | 114.19 | 114.104465 | 1.9 | 17.1 | 74 | 0 | 0 | 1 | 3 | 8 | 97 °F (NIOSH, 2024) | 291 °F at 760 mmHg (NIOSH, 2024) | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
METHYLCYCLOHEXANOL | 025639-42-3 | 87,468,080 | 4-methylhex-2-ynal | CCC(C)C#CC=O | InChI=1S/C7H10O/c1-3-7(2)5-4-6-8/h6-7H,3H2,1-2H3 | PQNOIQPKCYIDJB-UHFFFAOYSA-N | C7H10O | 110.15 | 110.073165 | 2 | 17.1 | 124 | 0 | 0 | 1 | 1 | 8 | 149 to 158 °F (NIOSH, 2024) | 311 to 356 °F at 760 mmHg (NIOSH, 2024) | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
NITROETHANE | 000079-24-3 | 6,587 | 1-nitroethane | CC[N+](=O)[O-] | InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3 | MCSAJNNLRCFZED-UHFFFAOYSA-N | C2H5NO2 | 75.07 | 75.032028 | 0.2 | 45.8 | 37 | 0 | 0 | 2 | 0 | 5 | 106 °F (NTP, 1992) | 239 °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-NITROPROPANE | 000108-03-2 | 7,903 | 1-nitropropane | CCC[N+](=O)[O-] | InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3 | JSZOAYXJRCEYSX-UHFFFAOYSA-N | C3H7NO2 | 89.09 | 89.047678 | 0.9 | 45.8 | 47 | 0 | 0 | 2 | 1 | 6 | 93 °F (NTP, 1992) | 270 °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 |
PROPYLENE GLYCOL MONOMETHYL ETHER | 000107-98-2 | 7,900 | 1-methoxypropan-2-ol | CC(COC)O | InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3 | ARXJGSRGQADJSQ-UHFFFAOYSA-N | C4H10O2 | 90.12 | 90.06808 | -0.2 | 29.5 | 28 | 0 | 1 | 2 | 2 | 6 | 97 °F (NTP, 1992) | 248 °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 | 1 |
TRIETHYLORTHOACETATE | 000078-39-7 | 66,221 | 1,1,1-triethoxyethane | CCOC(C)(OCC)OCC | InChI=1S/C8H18O3/c1-5-9-8(4,10-6-2)11-7-3/h5-7H2,1-4H3 | NDQXKKFRNOPRDW-UHFFFAOYSA-N | C8H18O3 | 162.23 | 162.125594 | 1.3 | 27.7 | 76 | 0 | 0 | 3 | 6 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
NITROMETHANE-D3 | 013031-32-8 | 123,293 | trideuterio(nitro)methane | [2H]C([2H])([2H])[N+](=O)[O-] | InChI=1S/CH3NO2/c1-2(3)4/h1H3/i1D3 | LYGJENNIWJXYER-FIBGUPNXSA-N | CH3NO2 | 64.059 | 64.035209 | 0.1 | 45.8 | 27 | 0 | 0 | 2 | 0 | 4 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
BIS(CHLOROMETHYL)TETRAMETHYLDISILOXANE | 002362-10-9 | 75,385 | chloromethyl-[chloromethyl(dimethyl)silyl]oxy-dimethylsilane | C[Si](C)(CCl)O[Si](C)(C)CCl | InChI=1S/C6H16Cl2OSi2/c1-10(2,5-7)9-11(3,4)6-8/h5-6H2,1-4H3 | NBGGEWGFZUDQKZ-UHFFFAOYSA-N | C6H16Cl2OSi2 | 231.26 | 230.011674 | null | 9.2 | 114 | 0 | 0 | 1 | 4 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
4-METHOXY-4-METHYLPENTANONE | 000107-70-0 | 7,884 | 4-methoxy-4-methylpentan-2-one | CC(=O)CC(C)(C)OC | InChI=1S/C7H14O2/c1-6(8)5-7(2,3)9-4/h5H2,1-4H3 | KOKPBCHLPVDQTK-UHFFFAOYSA-N | C7H14O2 | 130.18 | 130.09938 | 0.4 | 26.3 | 105 | 0 | 0 | 2 | 3 | 9 | 141 °F (NTP, 1992) | 297 to 325 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
N-METHYL-N-(BUTYLDIMETHYLSILYL)TRIFLUOROACETAMIDE | 077377-52-7 | 2,724,275 | N-[tert-butyl(dimethyl)silyl]-2,2,2-trifluoro-N-methylacetamide | CC(C)(C)[Si](C)(C)N(C)C(=O)C(F)(F)F | InChI=1S/C9H18F3NOSi/c1-8(2,3)15(5,6)13(4)7(14)9(10,11)12/h1-6H3 | QRKUHYFDBWGLHJ-UHFFFAOYSA-N | C9H18F3NOSi | 241.33 | 241.110975 | null | 20.3 | 255 | 0 | 0 | 4 | 2 | 15 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
3-OCTANONE | 000106-68-3 | 246,728 | octan-3-one | CCCCCC(=O)CC | InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3 | RHLVCLIPMVJYKS-UHFFFAOYSA-N | C8H16O | 128.21 | 128.120115 | 2.3 | 17.1 | 76 | 0 | 0 | 1 | 5 | 9 | 115 °F (USCG, 1999) | 332.6 to 334.4 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
3-CHLORO-2-BUTANONE | 004091-39-8 | 20,026 | 3-chlorobutan-2-one | CC(C(=O)C)Cl | InChI=1S/C4H7ClO/c1-3(5)4(2)6/h3H,1-2H3 | OIMRLHCSLQUXLL-UHFFFAOYSA-N | C4H7ClO | 106.55 | 106.018543 | 1 | 17.1 | 60 | 0 | 0 | 1 | 1 | 6 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TRIETHYL ORTHOPROPIONATE | 000115-80-0 | 66,995 | 1,1,1-triethoxypropane | CCC(OCC)(OCC)OCC | InChI=1S/C9H20O3/c1-5-9(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3 | FGWYWKIOMUZSQF-UHFFFAOYSA-N | C9H20O3 | 176.25 | 176.141245 | 2 | 27.7 | 86 | 0 | 0 | 3 | 7 | 12 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2,2-DIMETHYL-6,6,7,7,8,8,8-HEPTAFLUORO 3,5-OCTANEDIONE | 017587-22-3 | 28,614 | 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione | CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F | InChI=1S/C10H11F7O2/c1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17/h4H2,1-3H3 | SQNZLBOJCWQLGQ-UHFFFAOYSA-N | C10H11F7O2 | 296.18 | 296.064727 | 3.7 | 34.1 | 376 | 0 | 0 | 9 | 5 | 19 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-IODOPENTANE | 000628-17-1 | 12,335 | 1-iodopentane | CCCCCI | InChI=1S/C5H11I/c1-2-3-4-5-6/h2-5H2,1H3 | BLXSFCHWMBESKV-UHFFFAOYSA-N | C5H11I | 198.05 | 197.99055 | 3.6 | 0 | 19 | 0 | 0 | 0 | 3 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
(R)-(-)-2-BUTANOL | 014898-79-4 | 84,682 | (2R)-butan-2-ol | CC[C@@H](C)O | InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m1/s1 | BTANRVKWQNVYAZ-SCSAIBSYSA-N | C4H10O | 74.12 | 74.073165 | 0.6 | 20.2 | 19 | 0 | 1 | 1 | 1 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
3,3-DIMETHYL-2-BUTANOL | 000464-07-3 | 10,045 | 3,3-dimethylbutan-2-ol | CC(C(C)(C)C)O | InChI=1S/C6H14O/c1-5(7)6(2,3)4/h5,7H,1-4H3 | DFOXKPDFWGNLJU-UHFFFAOYSA-N | C6H14O | 102.17 | 102.104465 | 1.5 | 20.2 | 51 | 0 | 1 | 1 | 1 | 7 | 78.8 °F, 26 °C: closed cup | 120.4 °C | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1-HEPTANETHIOL | 001639-09-4 | 15,422 | heptane-1-thiol | CCCCCCCS | InChI=1S/C7H16S/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3 | VPIAKHNXCOTPAY-UHFFFAOYSA-N | C7H16S | 132.27 | 132.097272 | 3.9 | 1 | 35 | 0 | 1 | 1 | 5 | 8 | 115 °F (NIOSH, 2024) | 351 °F at 760 mmHg (NIOSH, 2024) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
4-CHLORO-1-BUTANOL | 000928-51-8 | 13,569 | 4-chlorobutan-1-ol | C(CCCl)CO | InChI=1S/C4H9ClO/c5-3-1-2-4-6/h6H,1-4H2 | HXHGULXINZUGJX-UHFFFAOYSA-N | C4H9ClO | 108.57 | 108.034193 | 0.8 | 20.2 | 23 | 0 | 1 | 1 | 3 | 6 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
METHOXYFLURANE | 000076-38-0 | 4,116 | 2,2-dichloro-1,1-difluoro-1-methoxyethane | COC(C(Cl)Cl)(F)F | InChI=1S/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3 | RFKMCNOHBTXSMU-UHFFFAOYSA-N | C3H4Cl2F2O | 164.96 | 163.960727 | 2.2 | 9.2 | 75 | 0 | 0 | 3 | 2 | 8 | 145 °F (NTP, 1992) | 220.3 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-HEXANOL | 000626-93-7 | 12,297 | hexan-2-ol | CCCCC(C)O | InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3 | QNVRIHYSUZMSGM-UHFFFAOYSA-N | C6H14O | 102.17 | 102.104465 | 1.8 | 20.2 | 35 | 0 | 1 | 1 | 3 | 7 | 41 °C | 136 °C | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
6-BROMO-1-HEXENE | 002695-47-8 | 75,906 | 6-bromohex-1-ene | C=CCCCCBr | InChI=1S/C6H11Br/c1-2-3-4-5-6-7/h2H,1,3-6H2 | RIMXEJYJXDBLIE-UHFFFAOYSA-N | C6H11Br | 163.06 | 162.00441 | 2.8 | 0 | 41 | 0 | 0 | 0 | 4 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ETHYL PROPIOLATE | 000623-47-2 | 12,182 | ethyl prop-2-ynoate | CCOC(=O)C#C | InChI=1S/C5H6O2/c1-3-5(6)7-4-2/h1H,4H2,2H3 | FMVJYQGSRWVMQV-UHFFFAOYSA-N | C5H6O2 | 98.1 | 98.036779 | 1 | 26.3 | 106 | 0 | 0 | 2 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
VINYL CROTONATE | 014861-06-4 | 5,365,800 | ethenyl (E)-but-2-enoate | C/C=C/C(=O)OC=C | InChI=1S/C6H8O2/c1-3-5-6(7)8-4-2/h3-5H,2H2,1H3/b5-3+ | IYNRVIKPUTZSOR-HWKANZROSA-N | C6H8O2 | 112.13 | 112.05243 | 1.4 | 26.3 | 114 | 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 |
METHYL PYRUVATE | 000600-22-6 | 11,748 | methyl 2-oxopropanoate | CC(=O)C(=O)OC | InChI=1S/C4H6O3/c1-3(5)4(6)7-2/h1-2H3 | CWKLZLBVOJRSOM-UHFFFAOYSA-N | C4H6O3 | 102.09 | 102.031694 | 0 | 43.4 | 95 | 0 | 0 | 3 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
ETHYL 3-ETHOXYPROPIONATE | 000763-69-9 | 12,989 | ethyl 3-ethoxypropanoate | CCOCCC(=O)OCC | InChI=1S/C7H14O3/c1-3-9-6-5-7(8)10-4-2/h3-6H2,1-2H3 | BHXIWUJLHYHGSJ-UHFFFAOYSA-N | C7H14O3 | 146.18 | 146.094294 | 0.6 | 35.5 | 90 | 0 | 0 | 3 | 6 | 10 | 138 °F (USCG, 1999) | 338 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1,1,3-TRICHLOROPROPENE | 002567-14-8 | 17,378 | 1,1,3-trichloroprop-1-ene | C(C=C(Cl)Cl)Cl | InChI=1S/C3H3Cl3/c4-2-1-3(5)6/h1H,2H2 | JFEVIPGMXQNRRF-UHFFFAOYSA-N | C3H3Cl3 | 145.41 | 143.930033 | 2.6 | 0 | 53 | 0 | 0 | 0 | 1 | 6 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1-CHLOROHEPTANE | 000629-06-1 | 12,371 | 1-chloroheptane | CCCCCCCCl | InChI=1S/C7H15Cl/c1-2-3-4-5-6-7-8/h2-7H2,1H3 | DZMDPHNGKBEVRE-UHFFFAOYSA-N | C7H15Cl | 134.65 | 134.086228 | 4.2 | 0 | 35 | 0 | 0 | 0 | 5 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
5-BROMO-1-PENTENE | 001119-51-3 | 70,704 | 5-bromopent-1-ene | C=CCCCBr | InChI=1S/C5H9Br/c1-2-3-4-5-6/h2H,1,3-5H2 | LPNANKDXVBMDKE-UHFFFAOYSA-N | C5H9Br | 149.03 | 147.98876 | 2.4 | 0 | 32 | 0 | 0 | 0 | 3 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-IODO-3-METHYLBUTANE | 000541-28-6 | 10,924 | 1-iodo-3-methylbutane | CC(C)CCI | InChI=1S/C5H11I/c1-5(2)3-4-6/h5H,3-4H2,1-2H3 | BUZZUHJODKQYTF-UHFFFAOYSA-N | C5H11I | 198.05 | 197.99055 | 3.4 | 0 | 25 | 0 | 0 | 0 | 2 | 6 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
3-BUTYN-1-OL | 000927-74-2 | 13,566 | but-3-yn-1-ol | C#CCCO | InChI=1S/C4H6O/c1-2-3-4-5/h1,5H,3-4H2 | OTJZCIYGRUNXTP-UHFFFAOYSA-N | C4H6O | 70.09 | 70.041865 | 0.1 | 20.2 | 47 | 0 | 1 | 1 | 1 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TETRAETHYLSILANE | 000631-36-7 | 12,426 | tetraethylsilane | CC[Si](CC)(CC)CC | InChI=1S/C8H20Si/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3 | VCZQFJFZMMALHB-UHFFFAOYSA-N | C8H20Si | 144.33 | 144.133427 | null | 0 | 47 | 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 |
2-(TRIMETHYLSILYL)ETHANOL | 002916-68-9 | 18,013 | 2-trimethylsilylethanol | C[Si](C)(C)CCO | InChI=1S/C5H14OSi/c1-7(2,3)5-4-6/h6H,4-5H2,1-3H3 | ZNGINKJHQQQORD-UHFFFAOYSA-N | C5H14OSi | 118.25 | 118.081392 | null | 20.2 | 46 | 0 | 1 | 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 |
TRIETHOXYVINYLSILANE | 000078-08-0 | 6,516 | ethenyl(triethoxy)silane | CCO[Si](C=C)(OCC)OCC | InChI=1S/C8H18O3Si/c1-5-9-12(8-4,10-6-2)11-7-3/h8H,4-7H2,1-3H3 | FWDBOZPQNFPOLF-UHFFFAOYSA-N | C8H18O3Si | 190.31 | 190.102521 | null | 27.7 | 110 | 0 | 0 | 3 | 7 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
ETHYL THIOCYANATE | 000542-90-5 | 10,968 | ethyl thiocyanate | CCSC#N | InChI=1S/C3H5NS/c1-2-5-3-4/h2H2,1H3 | WFCLYEAZTHWNEH-UHFFFAOYSA-N | C3H5NS | 87.15 | 87.01427 | 1.3 | 49.1 | 51 | 0 | 0 | 2 | 1 | 5 | null | 295 °F at 760 mmHg (EPA, 1998) | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TETRAETHYLGERMANIUM | 000597-63-7 | 11,703 | tetraethylgermane | CC[Ge](CC)(CC)CC | InChI=1S/C8H20Ge/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3 | QQXSEZVCKAEYQJ-UHFFFAOYSA-N | C8H20Ge | 188.87 | 190.077678 | null | 0 | 47 | 0 | 0 | 0 | 4 | 9 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TRIPROPYLSILANE | 000998-29-8 | 6,327,709 | null | CCC[Si](CCC)CCC | InChI=1S/C9H21Si/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3 | MMYRBBZVCDXGHG-UHFFFAOYSA-N | C9H21Si | 157.35 | 157.141252 | null | 0 | 47 | 0 | 0 | 0 | 6 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
HEXANENITRILE | 000628-73-9 | 12,352 | hexanenitrile | CCCCCC#N | InChI=1S/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H3 | AILKHAQXUAOOFU-UHFFFAOYSA-N | C6H11N | 97.16 | 97.089149 | 1.7 | 23.8 | 67 | 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 |
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