1.0 2010-04-08 22:07:01 UTC 2025-11-18 23:01:04 UTC FDB006170 Isomenthol acetate Isomenthol acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Isomenthol acetate can be found in peppermint and spearmint, which makes isomenthol acetate a potential biomarker for the consumption of these food products. (+-)-Isomenthol acetate DL-Isomenthol acetate Isomenthol acetate Isomenthyl acetate C12H22O2 198.3019 198.161979948 (1R,2S,5S)-5-methyl-2-(propan-2-yl)cyclohexyl acetate (1R,2S,5S)-2-isopropyl-5-methylcyclohexyl acetate 20777-45-1 CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(C)=O InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11-,12+/m0/s1 XHXUANMFYXWVNG-ZMLRMANQSA-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 Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Monocyclic monoterpenoids Organic oxides Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound P-menthane monoterpenoid logp 3.54 ALOGPS logs -4.02 ALOGPS solubility 1.88e-02 g/l ALOGPS logp 3.11 ChemAxon pka_strongest_basic -7 ChemAxon iupac (1R,2S,5S)-5-methyl-2-(propan-2-yl)cyclohexyl acetate ChemAxon average_mass 198.3019 ChemAxon mono_mass 198.161979948 ChemAxon smiles CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(C)=O ChemAxon formula C12H22O2 ChemAxon inchi InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11-,12+/m0/s1 ChemAxon inchikey XHXUANMFYXWVNG-ZMLRMANQSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 56.6 ChemAxon polarizability 23.55 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 83358 Specdb::MsMs 83359 Specdb::MsMs 83360 Specdb::MsMs 144942 Specdb::MsMs 144943 Specdb::MsMs 144944 Specdb::MsMs 3602612 Specdb::MsMs 3602613 Specdb::MsMs 3602614 Specdb::MsMs 3602615 Specdb::MsMs 3602616 Specdb::MsMs 3602617 Peppermint Type 1 specific Mentha X piperita 34256 4.2 4.4 4.0 mg/100 g Spearmint Type 1 specific Mentha spicata 29719 4.75 4.75 4.75 mg/100 g