{"ymdb_id":"YMDB01379","created_at":"2011-07-25T20:24:44.000Z","updated_at":"2016-09-08T18:36:36.000Z","name":"Ethyl-2-butenoate ","cas":"10544-63-5","state":"Solid","melting_point":null,"description":"Ethyl-2-butenoate is a volatile ethyl ester found in wine and produced during fermentation by yeast. Ethyl esters are formed by the reaction of ethanol with a fatty acid. They typically have pleasant sweet aromas. The concentrations of ethyl ester decrease over time as a wine ages due to spontaneous hydrolysis.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"extracellular","synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"22445536","cs_id":"23621256","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2-ethylbut-2-enoate","traditional_iupac":"2-ethylbut-2-enoate","logp":"1.759701441666667","pka":null,"alogps_solubility":"3.17e+01 g/l","alogps_logp":"1.62","alogps_logs":"-0.62","acceptor_count":"2","donor_count":"0","rotatable_bond_count":"2","polar_surface_area":"40.129999999999995","refractivity":"42.7601","polarizability":"11.823132054250609","formal_charge":"-1","physiological_charge":"-1","pka_strongest_basic":null,"pka_strongest_acidic":"5.056968544167764","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["2-Butenoic acid, ethyl ester","Crotonic acid, ethyl ester","Ethyl (2E)-2-butenoate","Ethyl 2-butenoate","ethyl but-2-enoate","Ethyl crotonate","Ethylester kyseliny krotonove"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":20151225,"citation":"Tsakiris, A., Koutinas, A. A., Psarianos, C., Kourkoutas, Y., Bekatorou, A. (2010). \"A new process for wine production by penetration of yeast in uncrushed frozen grapes.\" Appl Biochem Biotechnol 162:1109-1121."}],"proteins":[]}