1.0 2010-04-08 22:09:07 UTC 2025-11-18 23:19:21 UTC FDB010417 3,7,11-Trimethyldodeca-2,6,10-trienyl acetate 3,7,11-trimethyldodeca-2,6,10-trienyl acetate, also known as farnesylacetic acid, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. 3,7,11-trimethyldodeca-2,6,10-trienyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 3,7,11-trimethyldodeca-2,6,10-trienyl acetate is a floral, green, and rose tasting compound found in highbush blueberry, which makes 3,7,11-trimethyldodeca-2,6,10-trienyl acetate a potential biomarker for the consumption of this food product. C17H28O2 264.403 264.20893014 3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate 3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate 29548-30-9 CC(C)=CCCC(C)=CCCC(C)=CCOC(C)=O InChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3 ZGIGZINMAOQWLX-UHFFFAOYSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Fatty alcohol esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Farsesane sesquiterpenoid Fatty alcohol ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Sesquiterpenoid logp 5.67 ALOGPS logs -4.29 ALOGPS solubility 1.37e-02 g/l ALOGPS logp 4.6 ChemAxon pka_strongest_basic -7 ChemAxon iupac 3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate ChemAxon average_mass 264.403 ChemAxon mono_mass 264.20893014 ChemAxon smiles CC(C)=CCCC(C)=CCCC(C)=CCOC(C)=O ChemAxon formula C17H28O2 ChemAxon inchi InChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3 ChemAxon inchikey ZGIGZINMAOQWLX-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 84.14 ChemAxon polarizability 32.95 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 94473 Specdb::MsMs 94474 Specdb::MsMs 94475 Specdb::MsMs 158505 Specdb::MsMs 158506 Specdb::MsMs 158507 Specdb::MsMs 3605146 Specdb::MsMs 3605147 Specdb::MsMs 3605148 Specdb::MsMs 3605149 Specdb::MsMs 3605150 Specdb::MsMs 3605151 Highbush blueberry Type 1 specific Vaccinium corymbosum 69266 0.004 0.004 0.004 mg/100 g floral green rose