1.02010-04-08 22:14:37 UTC2018-05-29 01:43:34 UTCFDB0198503-MercaptohexanolIt is used as a food additive 3-Mercapto hexan-1-ol3-Mercapto-1-hexanol3-Mercaptohexanol3-Sulfanyl-1-hexanol3-sulfanylhexan-1-ol3-Sulphanylhexan-1-olFEMA 3850C6H14OS134.24134.076535763-sulfanylhexan-1-ol3-sulfanylhexan-1-ol51755-83-0CCCC(S)CCOInChI=1S/C6H14OS/c1-2-3-6(8)4-5-7/h6-8H,2-5H2,1H3TYZFMFVWHZKYSE-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 derivativesPrimary alcoholsAlcoholAliphatic acyclic compoundAlkylthiolHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundPrimary alcoholFatty alcoholsalkanethiolprimary alcohollogp2.06logs-1.75solubility2.40e+00 g/llogp1.38pka_strongest_acidic10.05pka_strongest_basic-2.4iupac3-sulfanylhexan-1-olaverage_mass134.24mono_mass134.07653576smilesCCCC(S)CCOformulaC6H14OSinchiInChI=1S/C6H14OS/c1-2-3-6(8)4-5-7/h6-8H,2-5H2,1H3inchikeyTYZFMFVWHZKYSE-UHFFFAOYSA-Npolar_surface_area20.23refractivity39.04polarizability15.96rotatable_bond_count4acceptor_count1donor_count2physiological_charge0formal_charge0Specdb::MsIr8701Specdb::MsIr8702Specdb::MsIr8703Specdb::NmrOneD38642Specdb::NmrOneD38643Specdb::NmrOneD38644Specdb::NmrOneD38645Specdb::NmrOneD38646Specdb::NmrOneD38647Specdb::NmrOneD38648Specdb::NmrOneD38649Specdb::NmrOneD38650Specdb::NmrOneD38651Specdb::NmrOneD38652Specdb::NmrOneD38653Specdb::NmrOneD38654Specdb::NmrOneD38655Specdb::NmrOneD38656Specdb::NmrOneD38657Specdb::NmrOneD38658Specdb::NmrOneD38659Specdb::NmrOneD38660Specdb::NmrOneD38661Specdb::CMs2691Specdb::CMs46690Specdb::CMs162268Specdb::MsMs77814Specdb::MsMs77815Specdb::MsMs77816Specdb::MsMs138033Specdb::MsMs138034Specdb::MsMs138035Specdb::MsMs2814559Specdb::MsMs2814560Specdb::MsMs2814561Specdb::MsMs2890888Specdb::MsMs2890889Specdb::MsMs2890890fruitysulfursulfuroustropical