{"ymdb_id":"YMDB01332","created_at":"2011-07-25T20:18:41.000Z","updated_at":"2016-09-08T18:36:32.000Z","name":"Ethyl dodecanoate","cas":"106-33-2","state":"Liquid","melting_point":"-10 oC","description":"Ethyl dodecanoate 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":"5.71 [KROP,HB ET AL. (1997)]","location":"extracellular","synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"7799","cs_id":"7512","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"ethyl dodecanoate","traditional_iupac":"ethyl laurate","logp":"4.981010128333335","pka":null,"alogps_solubility":"7.88e-04 g/l","alogps_logp":"5.95","alogps_logs":"-5.46","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"12","polar_surface_area":"26.3","refractivity":"68.19729999999998","polarizability":"29.965407596500093","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.032123337017739","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":["Dodecanoic acid, ethyl ester","Ethyl dodecylate","Ethyl ester dodecanoic acid","Ethyl laurate","Ethyl laurinate","Ethyl n-dodecanoate","ethyl n-dodecanote","Lauric acid, ethyl ester"],"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":[]}