{"ymdb_id":"YMDB01357","created_at":"2011-07-25T20:21:52.000Z","updated_at":"2016-09-08T18:36:35.000Z","name":"Ethyl 3-hexenoate","cas":"2396-83-0","state":"Solid","melting_point":null,"description":"Ethyl 3-hexenoate 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":"61312","cs_id":"55250","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"ethyl hex-3-enoate","traditional_iupac":"3-hexenoic acid, ethyl ester","logp":"1.951676481666666","pka":null,"alogps_solubility":"2.17e+00 g/l","alogps_logp":"2.49","alogps_logs":"-1.82","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"5","polar_surface_area":"26.3","refractivity":"41.7079","polarizability":"16.25241728072705","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.078807425976818","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["Ethyl (3E)-3-hexenoate","ethyl hex-3-enoate"],"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":[]}