1.02010-04-08 22:15:42 UTC2018-05-29 01:51:17 UTCFDB0214382-Ethyl-1-hexanethiolIt is used as a food additive 1-Hexanethiol, 2-ethyl-2-(Mercaptomethyl)heptane2-Ethylhexane-1-thiol2-ethylhexanethiol2-EthylhexylmercaptanFEMA 3833C8H18S146.294146.1129212662-ethylhexane-1-thiol2-ethylhexane-1-thiol7341-17-5CCCCC(CC)CSInChI=1S/C8H18S/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3UCJMHYXRQZYNNL-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.AlkylthiolsOrganic compoundsOrganosulfur compoundsThiolsAlkylthiolsAliphatic acyclic compoundsHydrocarbon derivativesAliphatic acyclic compoundAlkylthiolHydrocarbon derivativelogp4.93logs-3.76solubility2.54e-02 g/llogp3.76pka_strongest_acidic10.17pka_strongest_basic-9.6iupac2-ethylhexane-1-thiolaverage_mass146.294mono_mass146.112921266smilesCCCCC(CC)CSformulaC8H18SinchiInChI=1S/C8H18S/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3inchikeyUCJMHYXRQZYNNL-UHFFFAOYSA-Npolar_surface_area0refractivity46.44polarizability19.06rotatable_bond_count5acceptor_count0donor_count1physiological_charge0formal_charge0Specdb::MsIr9252Specdb::MsIr9253Specdb::MsIr9254Specdb::CMs20458Specdb::CMs130721Specdb::CMs138455Specdb::MsMs43620Specdb::MsMs43621Specdb::MsMs43622Specdb::MsMs152169Specdb::MsMs152170Specdb::MsMs152171Specdb::MsMs2439265Specdb::MsMs2439266Specdb::MsMs2439267Specdb::MsMs2522610Specdb::MsMs2522611Specdb::MsMs2522612