1.0 2010-04-08 22:13:00 UTC 2015-07-20 23:37:21 UTC FDB017293 2-Octenyl butyrate Flavouring ingredient (e)-2-Octenyl butanoate (E)-Oct-2-enyl butyrate 2-Octen-1-yl butyrate, trans- 2-Octenyl butanoate, (E)- 2-Octenyl ester(e)-butanoic acid Butanoic acid, 2-octenyl ester, (E)- FEMA 3517 trans-2-Octen-1-yl butanoate trans-2-Octen-1-yl butyrate C12H22O2 198.3019 198.161979948 (2Z)-oct-2-en-1-yl butanoate (2Z)-oct-2-en-1-yl butanoate 84642-60-4 CCCCC\C=C/COC(=O)CCC InChI=1S/C12H22O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h8-9H,3-7,10-11H2,1-2H3/b9-8- GPINUUWEKPNDBB-HJWRWDBZSA-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 Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty alcohol ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 4.74 ALOGPS logs -4.11 ALOGPS solubility 1.54e-02 g/l ALOGPS logp 3.96 ChemAxon pka_strongest_basic -7 ChemAxon iupac (2Z)-oct-2-en-1-yl butanoate ChemAxon average_mass 198.3019 ChemAxon mono_mass 198.161979948 ChemAxon smiles CCCCC\C=C/COC(=O)CCC ChemAxon formula C12H22O2 ChemAxon inchi InChI=1S/C12H22O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h8-9H,3-7,10-11H2,1-2H3/b9-8- ChemAxon inchikey GPINUUWEKPNDBB-HJWRWDBZSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 59.88 ChemAxon polarizability 24.31 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9291 Specdb::CMs 152806 Specdb::MsIr 7813 Specdb::MsIr 7814 Specdb::MsMs 286504 Specdb::MsMs 286505 Specdb::MsMs 286506 Specdb::MsMs 325093 Specdb::MsMs 325094 Specdb::MsMs 325095 Specdb::MsMs 2370956 Specdb::MsMs 2370957 Specdb::MsMs 2370958 Specdb::MsMs 2568601 Specdb::MsMs 2568602 Specdb::MsMs 2568603 HMDB38081 #<Reference:0x000055ce32498030> berry fruity waxy