{"ymdb_id":"YMDB01365","created_at":"2011-07-25T20:22:55.000Z","updated_at":"2016-09-08T18:36:35.000Z","name":"Ethyl 2-hexenoate","cas":"1552-67-6","state":"Solid","melting_point":null,"description":"Ethyl 2-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":"10241196","cs_id":"452821","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"ethyl (2E)-hex-2-enoate","traditional_iupac":"2-hexenoic acid, ethyl ester","logp":"2.544754961333333","pka":null,"alogps_solubility":"1.11e+00 g/l","alogps_logp":"2.51","alogps_logs":"-2.11","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"5","polar_surface_area":"26.3","refractivity":"41.6846","polarizability":"16.34557580261115","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-6.7909905062381055","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 (2E)-2-hexenoate","Ethyl ester of 2-hexenoic acid","Ethyl hex-2-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":[]}