1.0 2011-10-02 06:37:52 UTC 2025-11-19 02:59:03 UTC FDB029780 DL-Menthyl acetate Flavouring compound [Superscent] C12H22O2 198.306 198.161979948 5-methyl-2-(propan-2-yl)cyclohexyl acetate (-)-menthyl acetate CC(C)C1CCC(C)CC1OC(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 XHXUANMFYXWVNG-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 a monoterpenol acetate ester 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 5-methyl-2-(propan-2-yl)cyclohexyl acetate ChemAxon average_mass 198.306 ChemAxon mono_mass 198.161979948 ChemAxon smiles CC(C)C1CCC(C)CC1OC(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 ChemAxon inchikey XHXUANMFYXWVNG-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 56.6 ChemAxon polarizability 23.73 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 44550 Specdb::MsMs 44551 Specdb::MsMs 44552 Specdb::MsMs 140646 Specdb::MsMs 140647 Specdb::MsMs 140648 Specdb::MsMs 3607468 Specdb::MsMs 3607469 Specdb::MsMs 3607470 Specdb::MsMs 3607471 Specdb::MsMs 3607472 Specdb::MsMs 3607473 camphoraceous melon orange raspberry