1.0 2010-04-08 22:07:34 UTC 2025-11-18 23:04:37 UTC FDB007333 cis-trans-Farnesyl acetate Cis-trans-farnesyl acetate is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Cis-trans-farnesyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Cis-trans-farnesyl acetate can be found in linden, which makes cis-trans-farnesyl acetate a potential biomarker for the consumption of this food product. (z,e)-farnesyl acetate 3,7,11-Trimethyldodeca-2,6,10-trienyl acetate Cis,trans-farnesyl acetate C17H28O2 264.409 264.208930142 (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate [H]\C(CC\C(C)=C(\[H])COC(C)=O)=C(\C)CCC=C(C)C 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/b15-10+,16-12- ZGIGZINMAOQWLX-HDVIWIBHSA-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 (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate ChemAxon average_mass 264.409 ChemAxon mono_mass 264.208930142 ChemAxon smiles [H]\C(CC\C(C)=C(\[H])COC(C)=O)=C(\C)CCC=C(C)C 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/b15-10+,16-12- ChemAxon inchikey ZGIGZINMAOQWLX-HDVIWIBHSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 84.14 ChemAxon polarizability 33.03 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 72708 Specdb::MsMs 72709 Specdb::MsMs 72710 Specdb::MsMs 131694 Specdb::MsMs 131695 Specdb::MsMs 131696 Specdb::MsMs 3603926 Specdb::MsMs 3603927 Specdb::MsMs 3603928 Specdb::MsMs 3603929 Specdb::MsMs 3603930 Specdb::MsMs 3603931 Highbush blueberry Type 1 specific Vaccinium corymbosum 69266 0.0 0.0 0.0 mg/100 g Linden Type 1 specific Tilia 64580