1.0 2010-04-08 22:05:41 UTC 2019-11-26 02:58:34 UTC FDB003170 Ethyl (4Z)-4,7-octadienoate Aroma component of purple passion fruit (Passiflora edulis). Flavouring agent. Ethyl (4Z)-4,7-octadienoate is found in fruits. 4,7-Octadienoic acid, ethyl ester Ethyl (Z)-4,7-octadienoate Ethyl 4,7-octadienoate Ethyl cis-4,7-octadienoate Ethyl ester(Z)-4,7-octadienoic acid C10H16O2 168.2328 168.115029756 ethyl (4E)-octa-4,7-dienoate ethyl (4E)-octa-4,7-dienoate 69925-33-3 CCOC(=O)CC\C=C\CC=C InChI=1S/C10H16O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3,6-7H,1,4-5,8-9H2,2H3/b7-6+ LNOWXPKCCJROHI-VOTSOKGWSA-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 Liquid logp 3.06 ALOGPS logs -2.95 ALOGPS solubility 1.89e-01 g/l ALOGPS logp 2.54 ChemAxon pka_strongest_basic -7 ChemAxon iupac ethyl (4E)-octa-4,7-dienoate ChemAxon average_mass 168.2328 ChemAxon mono_mass 168.115029756 ChemAxon smiles CCOC(=O)CC\C=C\CC=C ChemAxon formula C10H16O2 ChemAxon inchi InChI=1S/C10H16O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3,6-7H,1,4-5,8-9H2,2H3/b7-6+ ChemAxon inchikey LNOWXPKCCJROHI-VOTSOKGWSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 50.95 ChemAxon polarizability 19.81 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23500 Specdb::CMs 133166 Specdb::CMs 140900 Specdb::MsIr 4110 Specdb::MsIr 4111 Specdb::MsMs 318085 Specdb::MsMs 318086 Specdb::MsMs 318087 Specdb::MsMs 364759 Specdb::MsMs 364760 Specdb::MsMs 364761 Specdb::MsMs 2745227 Specdb::MsMs 2745228 Specdb::MsMs 2745229 Specdb::MsMs 2937466 Specdb::MsMs 2937467 Specdb::MsMs 2937468 HMDB31156 #<Reference:0x000055ce3037efe8> Fruits Unknown generic pineapple