{"ymdb_id":"YMDB01773","created_at":"2011-08-31T03:44:01.000Z","updated_at":"2016-09-08T18:37:06.000Z","name":"Phenylethylacetate","cas":"103-45-7","state":"Liquid","melting_point":"-31.1 oC","description":"Phenylethyl acetate is a volite ester produced by yeast fermentations. It has a sweet honey like aroma and is an important component of a wines fruity flavour.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":"2.30 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":null,"chebi_id":"31988","hmdb_id":null,"kegg_id":"C12303","pubchem_id":"17781096","cs_id":"10613022","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"3-phenylbutanoate","traditional_iupac":"β-phenylbutyrate","logp":"2.3425818666666665","pka":null,"alogps_solubility":"3.79e-01 g/l","alogps_logp":"2.46","alogps_logs":"-2.68","acceptor_count":"2","donor_count":"0","rotatable_bond_count":"3","polar_surface_area":"40.129999999999995","refractivity":"57.352300000000014","polarizability":"17.1187509543418","formal_charge":"-1","physiological_charge":"-1","pka_strongest_basic":null,"pka_strongest_acidic":"4.792476454512799","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":["-Phenethyl acetate","-Phenylethyl acetate","2-Phenethyl acetate","2-Phenylethyl acetate","Acetic acid beta-phenylethyl ester","acetic acid, 2-phenylethyl ester","Acetic acid, phenethyl ester","Benzylcarbinyl acetate","beta-Phenethyl acetate","beta-Phenylethyl acetate","Ethanol, 2-phenyl-, acetate","Phenethyl acetate","phenethyl alcohol, acetate","Phenylethyl acetate","Phenylethyl acetate-\u0026beta","Phenylethyl acetate-beta"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":17616208,"citation":"Loscos, N., Hernandez-Orte, P., Cacho, J., Ferreira, V. (2007). \"Release and formation of varietal aroma compounds during alcoholic fermentation from nonfloral grape odorless flavor precursors fractions.\" J Agric Food Chem 55:6674-6684."}],"proteins":[]}