{"ymdb_id":"YMDB01403","created_at":"2011-07-25T20:33:30.000Z","updated_at":"2016-09-08T18:36:38.000Z","name":"Ethyl 2-hydroxypentanoate","cas":"6938-26-7","state":null,"melting_point":null,"description":"Ethyl 2-hydroxypentanoate 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":"60630","hmdb_id":null,"kegg_id":null,"pubchem_id":"96120","cs_id":"86764","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"ethyl 2-hydroxypentanoate","traditional_iupac":"ethyl 2-hydroxypentanoate","logp":"0.9979635526666663","pka":null,"alogps_solubility":"1.02e+02 g/l","alogps_logp":"0.99","alogps_logs":"-0.16","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"5","polar_surface_area":"46.53","refractivity":"37.4825","polarizability":"16.18566930675609","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-3.8014775283070437","pka_strongest_acidic":"12.70764168196835","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["2-hydroxyvalerate","alpha hydroxy valerate","alpha-hydroxy-n-valerate","alpha-hydroxyvalerate","dl-Ethyl-alpha-hydroxy valerate","Ethyl 2-hydroxyvalerate","Pentanoic acid, 2-hydroxy-, ethyl ester"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":12236692,"citation":"Patel, S., Shibamoto, T. (2002). \"Effect of different strains of Saccharomyces cerevisiae on production of volatiles in Napa Gamay wine and Petite Sirah wine.\" J Agric Food Chem 50:5649-5653."}],"proteins":[]}