{"ymdb_id":"YMDB01356","created_at":"2011-07-25T20:21:44.000Z","updated_at":"2016-09-08T18:36:35.000Z","name":"Ethyl 3-hydroxy hexanoate","cas":"2305-25-1","state":null,"melting_point":null,"description":"Ethyl 3-hydroxy hexanoate 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":"61293","cs_id":"55232","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"ethyl 3-hydroxyhexanoate","traditional_iupac":"ethyl 3-hydroxyhexanoate","logp":"1.0827870713333327","pka":null,"alogps_solubility":"3.83e+01 g/l","alogps_logp":"1.32","alogps_logs":"-0.62","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"6","polar_surface_area":"46.53","refractivity":"42.10680000000001","polarizability":"17.807727466514226","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-2.7985350379312823","pka_strongest_acidic":"15.000605766046448","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":["1-hexanoate","1-pentacarboxylate","1-pentanecarboxylate","butylacetate","caproate","capronate","Ethyl 3-hydroxyhexanoate","ethyl hydroxy-3-hexanoate","hexoate","hexylate","n-caproate","n-hexanoate","n-hexoate","n-hexylate","nPnCO2 anion","pentanecarboxylate","pentylformate"],"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":[]}