1.0 2010-04-08 22:10:53 UTC 2025-11-19 00:34:52 UTC FDB013761 (-)-Myrtenyl acetate Isolated from valerian (Valeriana officinalis). (-)-Myrtenyl acetate is found in many foods, some of which are spearmint, hyssop, fats and oils, and tea. (-)-Myrtenyl acetate Myrtenyl acetate C12H18O2 194.2701 194.13067982 {6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}methyl acetate {6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}methyl acetate CC(=O)OCC1=CCC2CC1C2(C)C InChI=1S/C12H18O2/c1-8(13)14-7-9-4-5-10-6-11(9)12(10,2)3/h4,10-11H,5-7H2,1-3H3 BKATZVAUANSCKN-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 Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Pinane monoterpenoid logp 3.39 ALOGPS logs -2.87 ALOGPS solubility 2.64e-01 g/l ALOGPS logp 1.96 ChemAxon pka_strongest_basic -7 ChemAxon iupac {6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}methyl acetate ChemAxon average_mass 194.2701 ChemAxon mono_mass 194.13067982 ChemAxon smiles CC(=O)OCC1=CCC2CC1C2(C)C ChemAxon formula C12H18O2 ChemAxon inchi InChI=1S/C12H18O2/c1-8(13)14-7-9-4-5-10-6-11(9)12(10,2)3/h4,10-11H,5-7H2,1-3H3 ChemAxon inchikey BKATZVAUANSCKN-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 55.65 ChemAxon polarizability 22.35 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25776 Specdb::CMs 136258 Specdb::CMs 143992 Specdb::MsIr 6812 Specdb::MsIr 6813 Specdb::MsMs 93444 Specdb::MsMs 93445 Specdb::MsMs 93446 Specdb::MsMs 157221 Specdb::MsMs 157222 Specdb::MsMs 157223 Specdb::MsMs 2368473 Specdb::MsMs 2368474 Specdb::MsMs 2368475 Specdb::MsMs 2567788 Specdb::MsMs 2567789 Specdb::MsMs 2567790 HMDB0035126 Black tea Type 1 Fats and oils Unknown generic Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Hyssop Type 1 specific Hyssopus officinalis 39324 Red tea Type 1 Spearmint Type 1 specific Mentha spicata 29719 Tea Type 1 specific Camellia sinensis 4442 citrus fresh fruity herbal sweet Perfumery 1206 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.