{"ymdb_id":"YMDB01368","created_at":"2011-07-25T20:23:18.000Z","updated_at":"2016-09-08T18:36:36.000Z","name":"Ethyl 9-hexadecenoate","cas":"54546-22-4","state":null,"melting_point":null,"description":"Ethyl 9-hexadecenoate 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":"8123","cs_id":"26282441","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"ethyl (9E)-hexadec-9-enoate","traditional_iupac":"ethyl (9E)-hexadec-9-enoate","logp":"6.397363131666666","pka":null,"alogps_solubility":"6.90e-05 g/l","alogps_logp":"7.23","alogps_logs":"-6.61","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"15","polar_surface_area":"26.3","refractivity":"87.71789999999999","polarizability":"37.509696090780984","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.032123337017807","pka_strongest_acidic":null,"bioavailability":"0","number_of_rings":"0","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["Ethyl (9E)-9-hexadecenoate","ethyl hexadec-9-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":[]}