{"ymdb_id":"YMDB01689","created_at":"2011-08-31T03:36:09.000Z","updated_at":"2016-09-08T18:37:00.000Z","name":"Ethylcinnamate","cas":"103-36-6","state":"Liquid","melting_point":"7.0 oC","description":"Ethyl cinnamate is the ethyl ester of cinnamic acid. It is found naturally in a variety of plants.","experimental_water_solubility":"0.178 mg/mL at 25 oC [YALKOWSKY,SH \u0026 DANNENFELSER,RM (1992)]","experimental_logp_hydrophobicity":"2.99 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":"C06359","pubchem_id":"17841636","cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(2E)-3-(2-ethylphenyl)prop-2-enoate","traditional_iupac":"(2E)-3-(2-ethylphenyl)prop-2-enoate","logp":"3.094076314333333","pka":null,"alogps_solubility":"4.46e-02 g/l","alogps_logp":"3.34","alogps_logs":"-3.64","acceptor_count":"2","donor_count":"0","rotatable_bond_count":"3","polar_surface_area":"40.129999999999995","refractivity":"63.539200000000015","polarizability":"18.85285824480446","formal_charge":"-1","physiological_charge":"-1","pka_strongest_basic":null,"pka_strongest_acidic":"4.703264737852219","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":["2-Propenoic acid, 3-phenyl-, ethyl ester","3-Phenylpropenoic acid ethyl","Cinnamic acid ethyl ester","Cinnamic acid, ethyl ester","Ethyl (2E)-3-phenyl-2-propenoate","Ethyl 3-phenyl-2-propenoate","Ethyl 3-phenylacrylate","Ethyl 3-phenylpropenoate","Ethyl beta-phenylacrylate","Ethyl cinnamate","Ethyl trans-cinnamate"],"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":[]}