1.0 2010-04-08 22:12:26 UTC 2025-11-19 01:46:59 UTC FDB016426 8-Mercapto-p-menthan-3-one A mixture of stereoisomers is used as a blackcurrant flavour 2-(1-Mercapto-1-methylethyl)-5-methyl-cyclohexanone 2-(1-Mercapto-1-methylethyl)-5-methylcyclohexan-1-one 2-(1-Mercapto-1-methylethyl)-5-methylcyclohexanone 2-(1-Mercapto-1-methylethyl)-5-methylcyclohexanone, 9CI 5-Methyl-2-(1-methyl-1-sulfanylethyl)cyclohexanone 8-Mercapto-p-menthan-3-one 8-Mercapto-P-menthane-3-one 8-Mercaptomenthone cis-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexan-1-one FEMA 3177 p-Mentha-8-thiol-3-one P-Menthon-8-thiol trans-2-(1-Mercapto-1-methylethyl)-5-methylcyclohexan-1-one C10H18OS 186.314 186.107835888 5-methyl-2-(2-sulfanylpropan-2-yl)cyclohexan-1-one 5-methyl-2-(2-sulfanylpropan-2-yl)cyclohexan-1-one 38462-22-5 CC1CCC(C(=O)C1)C(C)(C)S InChI=1S/C10H18OS/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-8,12H,4-6H2,1-3H3 RVOKNSFEAOYULQ-UHFFFAOYSA-N belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Menthane monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homomonocyclic compounds Alkylthiols Cyclic ketones Hydrocarbon derivatives Monocyclic monoterpenoids Organic oxides Aliphatic homomonocyclic compound Alkylthiol Carbonyl group Cyclic ketone Hydrocarbon derivative Ketone Monocyclic monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound Organosulfur compound P-menthane monoterpenoid logp 4.09 ALOGPS logs -3.48 ALOGPS solubility 6.18e-02 g/l ALOGPS logp 2.78 ChemAxon pka_strongest_acidic 9.9 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac 5-methyl-2-(2-sulfanylpropan-2-yl)cyclohexan-1-one ChemAxon average_mass 186.314 ChemAxon mono_mass 186.107835888 ChemAxon smiles CC1CCC(C(=O)C1)C(C)(C)S ChemAxon formula C10H18OS ChemAxon inchi InChI=1S/C10H18OS/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-8,12H,4-6H2,1-3H3 ChemAxon inchikey RVOKNSFEAOYULQ-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 54.33 ChemAxon polarizability 21.67 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26249 Specdb::CMs 133316 Specdb::CMs 141050 Specdb::MsMs 100845 Specdb::MsMs 100846 Specdb::MsMs 100847 Specdb::MsMs 166299 Specdb::MsMs 166300 Specdb::MsMs 166301 Specdb::MsMs 2715745 Specdb::MsMs 2715746 Specdb::MsMs 2715747 Specdb::MsMs 2966703 Specdb::MsMs 2966704 Specdb::MsMs 2966705 HMDB37385 #<Reference:0x000055ce31f96dc0> berry buchu fruity green minty peach sulfury tropical