1.0 2010-04-08 22:15:42 UTC 2025-11-19 02:37:35 UTC FDB021438 2-Ethyl-1-hexanethiol It is used as a food additive 1-Hexanethiol, 2-ethyl- 2-(Mercaptomethyl)heptane 2-Ethylhexane-1-thiol 2-ethylhexanethiol 2-Ethylhexylmercaptan FEMA 3833 C8H18S 146.294 146.112921266 2-ethylhexane-1-thiol 2-ethylhexane-1-thiol 7341-17-5 CCCCC(CC)CS InChI=1S/C8H18S/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3 UCJMHYXRQZYNNL-UHFFFAOYSA-N belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain. Alkylthiols Organic compounds Organosulfur compounds Thiols Alkylthiols Aliphatic acyclic compounds Hydrocarbon derivatives Aliphatic acyclic compound Alkylthiol Hydrocarbon derivative logp 4.93 ALOGPS logs -3.76 ALOGPS solubility 2.54e-02 g/l ALOGPS logp 3.76 ChemAxon pka_strongest_acidic 10.17 ChemAxon pka_strongest_basic -9.6 ChemAxon iupac 2-ethylhexane-1-thiol ChemAxon average_mass 146.294 ChemAxon mono_mass 146.112921266 ChemAxon smiles CCCCC(CC)CS ChemAxon formula C8H18S ChemAxon inchi InChI=1S/C8H18S/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3 ChemAxon inchikey UCJMHYXRQZYNNL-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 46.44 ChemAxon polarizability 19.06 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 0 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 9252 Specdb::MsIr 9253 Specdb::MsIr 9254 Specdb::CMs 20458 Specdb::CMs 130721 Specdb::CMs 138455 Specdb::MsMs 43620 Specdb::MsMs 43621 Specdb::MsMs 43622 Specdb::MsMs 152169 Specdb::MsMs 152170 Specdb::MsMs 152171 Specdb::MsMs 2439265 Specdb::MsMs 2439266 Specdb::MsMs 2439267 Specdb::MsMs 2522610 Specdb::MsMs 2522611 Specdb::MsMs 2522612 HMDB0041477