{"ymdb_id":"YMDB01414","created_at":"2011-07-25T20:34:52.000Z","updated_at":"2016-09-08T18:36:39.000Z","name":"ethyl-9-decenoate","cas":"67233-91-4","state":null,"melting_point":null,"description":"Ethyl-9-decenoate 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":"458098","cs_id":"15978872","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2-ethyldec-9-enoic acid","traditional_iupac":"2-ethyldec-9-enoic acid","logp":"4.272737744666667","pka":null,"alogps_solubility":"1.36e-02 g/l","alogps_logp":"4.27","alogps_logs":"-4.16","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"9","polar_surface_area":"37.3","refractivity":"58.69720000000001","polarizability":"24.427526264727152","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":null,"pka_strongest_acidic":"5.027134904597287","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"1","veber_rule":"1","mddr_like_rule":"0","synonyms":["9-Decenoic acid, ethyl ester","ethyl dec-9-enoate"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":21073195,"citation":"Gallardo-Chacon, J. J., Vichi, S., Lopez-Tamames, E., Buxaderas, S. (2010). \"Changes in the Sorption of Diverse Volatiles by Saccharomyces cerevisiae Lees during Sparkling Wine Aging.\" J Agric Food Chem :."}],"proteins":[]}