1.0 2010-04-08 22:13:09 UTC 2015-07-20 23:39:35 UTC FDB017549 Geranyl 2-ethylbutyrate Flavouring ingredient (e)-3,7-Dimethyl-2,6-octadienyl 2-ethylbutanoate (E)-3,7-Dimethylocta-2,6-dienyl 2-ethylbutyrate 3,7-Dimethyl-2,6-octadienyl 2-ethylbutanoate, (E)- 3,7-Dimethylocta-2,6-dienyl 2-ethylbutanoate 3,7-Dimethylocta-2,6-dienyl 2-ethylbutyrate FEMA 3339 Geranyl 2-ethylbutyrate C16H28O2 252.3923 252.20893014 (2Z)-3,7-dimethylocta-2,6-dien-1-yl 2-ethylbutanoate (2Z)-3,7-dimethylocta-2,6-dien-1-yl 2-ethylbutanoate 73019-14-4 CCC(CC)C(=O)OC\C=C(\C)CCC=C(C)C InChI=1S/C16H28O2/c1-6-15(7-2)16(17)18-12-11-14(5)10-8-9-13(3)4/h9,11,15H,6-8,10,12H2,1-5H3/b14-11- PFVYLGTZGQUUOT-KAMYIIQDSA-N belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. Fatty alcohol esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters Aliphatic acyclic compounds Acyclic monoterpenoids Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Acyclic monoterpenoid Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty alcohol ester Hydrocarbon derivative Monocarboxylic acid or derivatives Monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound logp 5.68 ALOGPS logs -4.10 ALOGPS solubility 2.02e-02 g/l ALOGPS logp 5.08 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac (2Z)-3,7-dimethylocta-2,6-dien-1-yl 2-ethylbutanoate ChemAxon average_mass 252.3923 ChemAxon mono_mass 252.20893014 ChemAxon smiles CCC(CC)C(=O)OC\C=C(\C)CCC=C(C)C ChemAxon formula C16H28O2 ChemAxon inchi InChI=1S/C16H28O2/c1-6-15(7-2)16(17)18-12-11-14(5)10-8-9-13(3)4/h9,11,15H,6-8,10,12H2,1-5H3/b14-11- ChemAxon inchikey PFVYLGTZGQUUOT-KAMYIIQDSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 78.74 ChemAxon polarizability 31.03 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16131 Specdb::CMs 153560 Specdb::MsMs 83433 Specdb::MsMs 83434 Specdb::MsMs 83435 Specdb::MsMs 145032 Specdb::MsMs 145033 Specdb::MsMs 145034 Specdb::MsMs 2801191 Specdb::MsMs 2801192 Specdb::MsMs 2801193 Specdb::MsMs 2877386 Specdb::MsMs 2877387 Specdb::MsMs 2877388 HMDB38255 #<Reference:0x000055ce318fae58>