{"ymdb_id":"YMDB01366","created_at":"2011-07-25T20:23:03.000Z","updated_at":"2016-09-08T18:36:35.000Z","name":"Ethyl 9-decenoate","cas":"67233-91-4","state":null,"melting_point":null,"description":"Ethyl 9-decenoate 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":"12729","cs_id":"455568","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"ethyl dec-9-enoate","traditional_iupac":"ethyl dec-9-enoate","logp":"3.7878848119999997","pka":null,"alogps_solubility":"5.06e-03 g/l","alogps_logp":"4.36","alogps_logs":"-4.59","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"10","polar_surface_area":"26.3","refractivity":"59.03940000000001","polarizability":"24.941846009595714","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.032123337017807","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"1","veber_rule":"1","mddr_like_rule":"0","synonyms":["9-Decenoic acid, ethyl ester","ethyl dec-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":[]}