{"ymdb_id":"YMDB01474","created_at":"2011-07-25T20:42:18.000Z","updated_at":"2016-09-08T18:36:43.000Z","name":"Ethyl heptanoate","cas":"106-30-9","state":"Liquid","melting_point":"-66.1 oC","description":"Ethyl heptanoate is a volatile aroma ester extracted from yeast and produced during fermentation of alcoholic beverages. Its odor is similar to grape.\n\n\nEthyl heptanoate is a volatile ethyl ester found in alcoholic beverages and produced during fermentation by yeast. Ethyl esters are formed by the reaction of ethanol with a fatty acid. Ethyl heptanoate has an aroma associated with grape. The concentrations of ethyl ester decrease over time as an alcoholic beverage ages due to spontaneous hydrolysis.","experimental_water_solubility":"0.29 mg/mL at 25 oC [SUZUKI,T (1991)]","experimental_logp_hydrophobicity":null,"location":"extracellular","synthesis_reference":"Gogichaishvili, E. A.  Conditions of formation and accumulation of ethyl enanthate.    Tr. Inst. Sadovodstva, Vinogradarstva i Vinodeliya, Akad. Sel'skokhoz. Nauk Gruz. SSR  (1961),  13  413-18. ","chebi_id":"32362","hmdb_id":"HMDB00798","kegg_id":null,"pubchem_id":"7797","cs_id":"7509","foodb_id":null,"wikipedia_link":"Ethyl_heptanoate","biocyc_id":null,"iupac":"ethyl heptanoate","traditional_iupac":"wine oil","logp":"2.7581668033333324","pka":null,"alogps_solubility":"3.05e-01 g/l","alogps_logp":"3.39","alogps_logs":"-2.72","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"7","polar_surface_area":"26.3","refractivity":"45.1923","polarizability":"19.561157419218915","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.032123336973473","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":["1-hexanecarboxylate","Aether oenanthicus","Cognac oil","enanthate","Enanthic acid ethyl ester","enanthylate","Enanthylic ether","ethyl enantate","Ethyl enanthate","Ethyl ester of heptanoic acid","Ethyl heptanoic acid","Ethyl heptoate","Ethyl heptoic acid","Ethyl heptylate","Ethyl n-heptanoate","Ethyl n-heptanoic acid","Ethyl oenanthate","Ethyl oenanthylate","Grape oil","Heptanoic acid, ethyl ester","heptanoic acid, ion(1-)","heptoate","heptylate","n-heptanoate","n-heptoate","n-heptylate","oenanthate","Oenanthic ether","oenanthylate","Oleum vitis viniferae","Wine oil"],"pathways":[],"growth_conditions":[],"references":[{"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."},{"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":[]}