1.0 2010-04-08 22:12:17 UTC 2015-07-20 23:26:54 UTC FDB016196 Ethyl (±)-2-ethyl-3-phenylpropanoate Flavouring ingredient Benzenepropanoic acid, alpha-ethyl-, ethyl ester Ethyl (±)-2-ethyl-3-phenylpropanoate Ethyl 2-benzylbutanoate Ethyl 2-benzylbutyrate Ethyl 2-ethyl-3-phenylpropanoate Ethyl 2-ethylbenzenepropanoate Ethyl 2-ethyldihydrocinnamate Ethyl alpha-ethylbenzenepropanoate Ethyl alpha-ethylhydrocinnamate FEMA 3341 Hydrocinnamic acid, alpha-ethyl-, ethyl ester C13H18O2 206.2808 206.13067982 ethyl 2-benzylbutanoate ethyl 2-benzylbutanoate 2983-36-0 CCOC(=O)C(CC)CC1=CC=CC=C1 InChI=1S/C13H18O2/c1-3-12(13(14)15-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3 QDCUBAFTOOPBFR-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 Aromatic homomonocyclic compounds Benzene and substituted derivatives Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound logp 3.79 ALOGPS logs -3.80 ALOGPS solubility 3.28e-02 g/l ALOGPS logp 3.55 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac ethyl 2-benzylbutanoate ChemAxon average_mass 206.2808 ChemAxon mono_mass 206.13067982 ChemAxon smiles CCOC(=O)C(CC)CC1=CC=CC=C1 ChemAxon formula C13H18O2 ChemAxon inchi InChI=1S/C13H18O2/c1-3-12(13(14)15-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3 ChemAxon inchikey QDCUBAFTOOPBFR-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 60.66 ChemAxon polarizability 23.56 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2945 Specdb::CMs 133331 Specdb::CMs 141065 Specdb::MsIr 7463 Specdb::MsIr 7464 Specdb::MsMs 58602 Specdb::MsMs 58603 Specdb::MsMs 58604 Specdb::MsMs 114561 Specdb::MsMs 114562 Specdb::MsMs 114563 Specdb::MsMs 2351641 Specdb::MsMs 2351642 Specdb::MsMs 2351643 Specdb::MsMs 2584493 Specdb::MsMs 2584494 Specdb::MsMs 2584495 HMDB37194 #<Reference:0x000055ce32259710> floral green