1.0 2010-04-08 22:06:59 UTC 2025-11-18 23:00:56 UTC FDB006113 1-Menthol acetate 1-menthol acetate is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids 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. 1-menthol acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1-menthol acetate can be found in spearmint, which makes 1-menthol acetate a potential biomarker for the consumption of this food product. C12H22O2 198.3019 198.161979948 1-methyl-4-(propan-2-yl)cyclohexyl acetate 4-isopropyl-1-methylcyclohexyl acetate CC(C)C1CCC(C)(CC1)OC(C)=O InChI=1S/C12H22O2/c1-9(2)11-5-7-12(4,8-6-11)14-10(3)13/h9,11H,5-8H2,1-4H3 PXLKJWMSFPYVNB-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 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 3.83 ALOGPS logs -4.12 ALOGPS solubility 1.52e-02 g/l ALOGPS logp 3.02 ChemAxon pka_strongest_basic -7 ChemAxon iupac 1-methyl-4-(propan-2-yl)cyclohexyl acetate ChemAxon average_mass 198.3019 ChemAxon mono_mass 198.161979948 ChemAxon smiles CC(C)C1CCC(C)(CC1)OC(C)=O ChemAxon formula C12H22O2 ChemAxon inchi InChI=1S/C12H22O2/c1-9(2)11-5-7-12(4,8-6-11)14-10(3)13/h9,11H,5-8H2,1-4H3 ChemAxon inchikey PXLKJWMSFPYVNB-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 56.76 ChemAxon polarizability 23.72 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 46626 Specdb::MsMs 46627 Specdb::MsMs 46628 Specdb::MsMs 127089 Specdb::MsMs 127090 Specdb::MsMs 127091 Specdb::MsMs 3602516 Specdb::MsMs 3602517 Specdb::MsMs 3602518 Specdb::MsMs 3602519 Specdb::MsMs 3602520 Specdb::MsMs 3602521 Spearmint Type 1 specific Mentha spicata 29719