{"ymdb_id":"YMDB01354","created_at":"2011-07-25T20:21:29.000Z","updated_at":"2016-09-08T18:36:34.000Z","name":"Ethyl nonanoate","cas":"123-29-5","state":"Liquid","melting_point":"-36.7 oC","description":"Ethyl nonaoate 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":"0.0295 mg/mL at 25 oC [SUZUKI,T (1991)]","experimental_logp_hydrophobicity":null,"location":"extracellular","synthesis_reference":null,"chebi_id":"32361","hmdb_id":null,"kegg_id":null,"pubchem_id":"7799","cs_id":"28991","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"ethyl nonanoate","traditional_iupac":"ethyl nonanoate","logp":"3.647304133333334","pka":null,"alogps_solubility":"2.56e-02 g/l","alogps_logp":"4.45","alogps_logs":"-3.86","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"9","polar_surface_area":"26.3","refractivity":"54.3943","polarizability":"23.764619087394397","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":"1","mddr_like_rule":"0","synonyms":["1-nonanoate","1-octanecarboxylate","Caprylic acid ethyl ester","Carbon","Ethyl caprylate","Ethyl ester octanoic acid","Ethyl n-nonanoate","Ethyl n-octanoate","Ethyl nonylate","Ethyl octanoate","Ethyl octoate","Ethyl octylate","Ethyl pelargonate","n-Caprylic acid ethyl ester","n-nonanoate","Nonanoic acid ethyl ester","Nonanoic acid, ethyl ester","nonoate","nonylate","Octanoic acid, ethyl ester","pelargate","pelargonate","pergonate","Wine ether"],"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."},{"pubmed_id":12957907,"citation":"Verstrepen, K. J., Van Laere, S. D., Vanderhaegen, B. M., Derdelinckx, G., Dufour, J. P., Pretorius, I. S., Winderickx, J., Thevelein, J. M., Delvaux, F. R. (2003). \"Expression levels of the yeast alcohol acetyltransferase genes ATF1, Lg-ATF1, and ATF2 control the formation of a broad range of volatile esters.\" Appl Environ Microbiol 69:5228-5237."}],"proteins":[]}