1.0 2010-04-08 22:11:34 UTC 2015-07-20 23:13:01 UTC FDB014950 Thiogeraniol Flavouring and perfumery ingredient (e)-3,7-Dimethyl-2,6-octadiene-1-thiol (E)-3,7-Dimethylocta-2,6-diene-1-thiol (Z)-3,7-Dimethylocta-2,6-diene-1-thiol 2,6-Octadiene-1-thiol, 3,7-dimethyl-, (2E)- 2,6-Octadiene-1-thiol, 3,7-dimethyl-, (E)- 3,7-Dimethyl-(2e)-2,6-octadiene-1-thiol 3,7-Dimethyl-(e)-2,6-octadiene-1-thiol 3,7-Dimethyl-2,6-octadiene-1-thiol, (E)- Geranyl mercaptan Thiogeraniol C10H18S 170.315 170.112921266 (2Z)-3,7-dimethylocta-2,6-diene-1-thiol (2Z)-3,7-dimethylocta-2,6-diene-1-thiol 39067-80-6 CC(C)=CCC\C(C)=C/CS InChI=1S/C10H18S/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7- FACAUSJJVBMWLV-YFHOEESVSA-N belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle. Acyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic acyclic compounds Alkylthiols Hydrocarbon derivatives Acyclic monoterpenoid Aliphatic acyclic compound Alkylthiol Hydrocarbon derivative Organosulfur compound logp 4.17 ALOGPS logs -3.32 ALOGPS solubility 8.21e-02 g/l ALOGPS logp 3.75 ChemAxon pka_strongest_acidic 10 ChemAxon pka_strongest_basic -9.7 ChemAxon iupac (2Z)-3,7-dimethylocta-2,6-diene-1-thiol ChemAxon average_mass 170.315 ChemAxon mono_mass 170.112921266 ChemAxon smiles CC(C)=CCC\C(C)=C/CS ChemAxon formula C10H18S ChemAxon inchi InChI=1S/C10H18S/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7- ChemAxon inchikey FACAUSJJVBMWLV-YFHOEESVSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 57.21 ChemAxon polarizability 21.29 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 0 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12784 Specdb::CMs 154713 Specdb::MsIr 7095 Specdb::MsIr 7096 Specdb::MsIr 7097 Specdb::MsMs 294064 Specdb::MsMs 294065 Specdb::MsMs 294066 Specdb::MsMs 334690 Specdb::MsMs 334691 Specdb::MsMs 334692 Specdb::MsMs 2789116 Specdb::MsMs 2789117 Specdb::MsMs 2789118 Specdb::MsMs 2920594 Specdb::MsMs 2920595 Specdb::MsMs 2920596 HMDB36106 #<Reference:0x000055ce316ff310> berry catty fruity green minty sulfurous