{"ymdb_id":"YMDB01331","created_at":"2011-07-25T20:18:33.000Z","updated_at":"2016-09-08T18:36:32.000Z","name":"Ethyl propanoate","cas":"105-37-3","state":"Liquid","melting_point":"-73.9 oC","description":"Ethyl propanoate 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":"19.2 mg/mL at 20 oC [YALKOWSKY,SH \u0026 DANNENFELSER,RM (1992)]","experimental_logp_hydrophobicity":"1.21 [HANSCH,C ET AL. (1995)]","location":"extracellular","synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"7749","cs_id":"7463","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"ethyl propanoate","traditional_iupac":"ethyl propionate","logp":"0.9798921433333334","pka":null,"alogps_solubility":"4.24e+01 g/l","alogps_logp":"1.32","alogps_logs":"-0.38","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"3","polar_surface_area":"26.3","refractivity":"26.7883","polarizability":"11.243037146038711","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.029072049330353","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":["C2H5COOC2H5","Ethyl ester of propanoic acid","Ethyl n-propionate","Ethyl propionate","Ethylester kyseliny propionove","n-Esyl propanoate","Propanoic acid, ethyl ester","Propionate d'ethyle","Propionic acid, ethyl ester","Propionic ester","Propionic 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."}],"proteins":[]}