1.0 2010-04-08 22:07:21 UTC 2019-11-26 03:01:21 UTC FDB006916 alpha-Fenchyl acetate Fenchyl acetate, also known as fenchyl acetic acid, is a member of the class of compounds known as bicyclic monoterpenoids. Bicyclic monoterpenoids are monoterpenoids containing exactly 2 rings, which are fused to each other. Fenchyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Fenchyl acetate is a sweet, citrus, and fir tasting compound found in sweet basil, which makes fenchyl acetate a potential biomarker for the consumption of this food product. C12H20O2 196.286 196.146329884 (1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl acetate (1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl acetate CC(=O)OC1C2(C)CCC(C2)C1(C)C InChI=1S/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3 JUWUWIGZUVEFQB-UHFFFAOYSA-N belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Bicyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homopolycyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homopolycyclic compound Bicyclic monoterpenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fenchane monoterpenoid Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 2.59 ChemAxon pka_strongest_basic -7 ChemAxon iupac (1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl acetate ChemAxon average_mass 196.286 ChemAxon mono_mass 196.146329884 ChemAxon smiles CC(=O)OC1C2(C)CCC(C2)C1(C)C ChemAxon formula C12H20O2 ChemAxon inchi InChI=1S/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3 ChemAxon inchikey JUWUWIGZUVEFQB-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 54.31 ChemAxon polarizability 22.48 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23604 Specdb::CMs 158669 Specdb::MsIr 9060 Specdb::MsIr 9061 Specdb::MsMs 318331 Specdb::MsMs 318332 Specdb::MsMs 318333 Specdb::MsMs 365071 Specdb::MsMs 365072 Specdb::MsMs 365073 Specdb::MsMs 2324335 Specdb::MsMs 2324336 Specdb::MsMs 2324337 Specdb::MsMs 2610935 Specdb::MsMs 2610936 Specdb::MsMs 2610937 Rosemary Type 1 specific Rosmarinus officinalis 39367 5.75 5.75 5.75 mg/100 g