{"ymdb_id":"YMDB15938","created_at":"2016-08-03T23:49:19.000Z","updated_at":"2016-09-10T00:52:18.000Z","name":"2-Phenylethyl butyrate","cas":null,"state":null,"melting_point":null,"description":"2-Phenylethyl butyrate, or 2-phenylethyl butanoate is a food flavouring. 2-Phenylethyl butanoate belongs to the family of Fatty Acid Esters. These are carboxylic ester derivatives of a fatty acid.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2-phenylethyl butanoate","traditional_iupac":"2-phenylethyl butanoate","logp":"3.080787176","pka":null,"alogps_solubility":"4.16e-02 g/l","alogps_logp":"3.26","alogps_logs":"-3.66","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"6","polar_surface_area":"26.3","refractivity":"56.00830000000001","polarizability":"22.04818622450907","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.033337196507908","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"1","veber_rule":"1","mddr_like_rule":"0","synonyms":[],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":19845354,"citation":"Robinson AL, Ebeler SE, Heymann H, Boss PK, Solomon PS, Trengove RD. (2009). \"Interactions between wine volatile compounds and grape and wine matrix components influence aroma compound headspace partitioning.\" J Agric Food Chem. 2009 Nov 11;57(21):10313-22."}],"proteins":[]}