1.0 2010-04-08 22:07:22 UTC 2025-11-18 23:03:12 UTC FDB006949 Sabinyl acetate Sabinyl acetate, also known as sabinyl acetic acid or sabinyl acetate, (1alpha,3beta,5alpha)-isomer, 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. Sabinyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Sabinyl acetate can be found in common sage and rosemary, which makes sabinyl acetate a potential biomarker for the consumption of these food products. β-sabinyl acetate 1-Isopropyl-4-methylenebicyclo[3.1.0]hex-3-yl acetate 4-Methylene-1-isopropyl-bicyclo[3.1.0]-hexan-3-ol acetate 4(10)-Thujen-3-ol, acetate Sabinyl acetate C12H18O2 194.2701 194.13067982 4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-yl acetate 1-isopropyl-4-methylidenebicyclo[3.1.0]hexan-3-yl acetate 7235-40-7 CC(C)C12CC1C(=C)C(C2)OC(C)=O InChI=1S/C12H18O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7,10-11H,3,5-6H2,1-2,4H3 PBWRFXQNNGSAQG-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 Thujane monoterpenoid logp 2.94 ALOGPS logs -2.99 ALOGPS solubility 1.98e-01 g/l ALOGPS logp 2.07 ChemAxon pka_strongest_basic -7 ChemAxon iupac 4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-yl acetate ChemAxon average_mass 194.2701 ChemAxon mono_mass 194.13067982 ChemAxon smiles CC(C)C12CC1C(=C)C(C2)OC(C)=O ChemAxon formula C12H18O2 ChemAxon inchi InChI=1S/C12H18O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7,10-11H,3,5-6H2,1-2,4H3 ChemAxon inchikey PBWRFXQNNGSAQG-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 54.32 ChemAxon polarizability 22.19 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 67722 Specdb::MsMs 67723 Specdb::MsMs 67724 Specdb::MsMs 125607 Specdb::MsMs 125608 Specdb::MsMs 125609 Specdb::MsMs 3603488 Specdb::MsMs 3603489 Specdb::MsMs 3603490 Specdb::MsMs 3603491 Specdb::MsMs 3603492 Specdb::MsMs 3603493 Common sage Type 1 specific Salvia officinalis 38868 36.3 36.3 36.3 mg/100 g Rosemary Type 1 specific Rosmarinus officinalis 39367 0.075 0.075 0.075 mg/100 g