1.0 2010-04-08 22:12:26 UTC 2025-11-19 01:46:59 UTC FDB016427 (R)-Menthone 8-thioacetate Flavour ingredient for various formulations (as mixture with the trans-form). Present in Buchu leaf oil (-)-cis-Menthone 8-thioacetate (R)-Menthone 8-thioacetate 8-Acetylthio-p-menthanone-3 FEMA 3809 Menthone 8-thioacetate C12H20O2S 228.351 228.118400574 (2R,5S)-2-[2-(acetylsulfanyl)propan-2-yl]-5-methylcyclohexan-1-one (2R,5S)-2-[2-(acetylsulfanyl)propan-2-yl]-5-methylcyclohexan-1-one 57129-12-1 C[C@H]1CC[C@H](C(=O)C1)C(C)(C)SC(C)=O InChI=1S/C12H20O2S/c1-8-5-6-10(11(14)7-8)12(3,4)15-9(2)13/h8,10H,5-7H2,1-4H3/t8-,10+/m0/s1 AMXPURQVAMENCC-WCBMZHEXSA-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 Carbothioic S-esters Carboxylic acids and derivatives Cyclic ketones Hydrocarbon derivatives Monocyclic monoterpenoids Organic oxides Sulfenyl compounds Thioesters Aliphatic homomonocyclic compound Carbonyl group Carbothioic s-ester Carboxylic acid derivative Cyclic ketone Hydrocarbon derivative Ketone Monocyclic monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound Organosulfur compound P-menthane monoterpenoid Sulfenyl compound Thiocarboxylic acid ester Thiocarboxylic acid or derivatives logp 3.27 ALOGPS logs -3.40 ALOGPS solubility 9.18e-02 g/l ALOGPS logp 2.62 ChemAxon pka_strongest_basic -6 ChemAxon iupac (2R,5S)-2-[2-(acetylsulfanyl)propan-2-yl]-5-methylcyclohexan-1-one ChemAxon average_mass 228.351 ChemAxon mono_mass 228.118400574 ChemAxon smiles C[C@H]1CC[C@H](C(=O)C1)C(C)(C)SC(C)=O ChemAxon formula C12H20O2S ChemAxon inchi InChI=1S/C12H20O2S/c1-8-5-6-10(11(14)7-8)12(3,4)15-9(2)13/h8,10H,5-7H2,1-4H3/t8-,10+/m0/s1 ChemAxon inchikey AMXPURQVAMENCC-WCBMZHEXSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 63.8 ChemAxon polarizability 25.51 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 89904 Specdb::MsMs 89905 Specdb::MsMs 89906 Specdb::MsMs 152946 Specdb::MsMs 152947 Specdb::MsMs 152948 Specdb::MsMs 3605965 Specdb::MsMs 3605966 Specdb::MsMs 3605967 Specdb::MsMs 3605968 Specdb::MsMs 3605969 Specdb::MsMs 3605970