1.0 2010-04-08 22:12:31 UTC 2015-07-20 23:30:59 UTC FDB016573 1-Ethenylhexyl butanoate Flavouring ingredient 1-Ethenylhexyl butanoate 1-Octen-3-ol butyrate 1-Octen-3-yl butyrate 1-Pentyl-2-propenyl butyrate 1-Pentylallyl butyrate 1-Vinylhexyl butyrate Amylvinylcarbinyl butyrate Butanoic acid 1-octen-3-yl ester Butanoic acid, 1-ethenylhexyl ester Butyric acid, 1-pentylallyl ester Butyric acid, 1-vinylhexyl ester FEMA 3612 Oct-1-en-3-yl butyrate C12H22O2 198.3019 198.161979948 oct-1-en-3-yl butanoate oct-1-en-3-yl butanoate 16491-54-6 CCCCCC(OC(=O)CCC)C=C InChI=1S/C12H22O2/c1-4-7-8-10-11(6-3)14-12(13)9-5-2/h6,11H,3-5,7-10H2,1-2H3 LZWFXVJBIZIHCH-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Fatty acid esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 4.19 ALOGPS logs -4.24 ALOGPS solubility 1.14e-02 g/l ALOGPS logp 4.07 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac oct-1-en-3-yl butanoate ChemAxon average_mass 198.3019 ChemAxon mono_mass 198.161979948 ChemAxon smiles CCCCCC(OC(=O)CCC)C=C ChemAxon formula C12H22O2 ChemAxon inchi InChI=1S/C12H22O2/c1-4-7-8-10-11(6-3)14-12(13)9-5-2/h6,11H,3-5,7-10H2,1-2H3 ChemAxon inchikey LZWFXVJBIZIHCH-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 58.55 ChemAxon polarizability 24.37 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7544 Specdb::MsIr 7545 Specdb::CMs 16119 Specdb::CMs 171608 Specdb::MsMs 56013 Specdb::MsMs 56014 Specdb::MsMs 56015 Specdb::MsMs 111321 Specdb::MsMs 111322 Specdb::MsMs 111323 Specdb::MsMs 2445379 Specdb::MsMs 2445380 Specdb::MsMs 2445381 Specdb::MsMs 2517003 Specdb::MsMs 2517004 Specdb::MsMs 2517005 HMDB37498 #<Reference:0x000055ce320daad8> animal butter fishy fruity mushroom