{"ymdb_id":"YMDB01690","created_at":"2011-08-31T03:36:15.000Z","updated_at":"2016-09-08T18:37:00.000Z","name":"Ethyldihydrocinnamate","cas":"2021-28-5","state":"Solid","melting_point":null,"description":"Ethyldihydrocinnamate is a derivative of cinnamic acid. It is found naturally in a variety of plants.","experimental_water_solubility":"0.22 mg/mL at 25 oC [BEILSTEIN]","experimental_logp_hydrophobicity":"2.73 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"62469","cs_id":"56249","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"ethyl 2-benzylbutanoate","traditional_iupac":"ethyl 2-benzylbutanoate","logp":"3.545819724333333","pka":null,"alogps_solubility":"3.28e-02 g/l","alogps_logp":"3.79","alogps_logs":"-3.80","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"6","polar_surface_area":"26.3","refractivity":"60.65980000000001","polarizability":"23.55976833168089","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.074573508566368","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":["Benzenepropanoic acid, ethyl ester","ethyl 2-benzylbutanoate","Ethyl 3-phenylpropanoate","Ethyl 3-phenylpropionate","ethyl 3-phenylproprionate","Ethyl benzenepropanoate","Ethyl dihydrocinnamate","Ethyl hydrocinnamate","ethylphenyl propanoate","Hydrocinnamic acid, ethyl ester"],"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":[]}