{"ymdb_id":"YMDB16012","created_at":"2016-08-03T23:51:48.000Z","updated_at":"2016-09-12T20:54:08.000Z","name":"Ethyl undecanoate","cas":null,"state":"Liquid","melting_point":null,"description":"Ethyl undecanoate is found in alcoholic beverages. Ethyl undecanoate is a flavouring ingredient. Ethyl undecanoate is present in rum, whisky and wine. Ethyl undecanoate belongs to the family of Fatty Acid Esters. These are carboxylic ester derivatives of a fatty acid.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"ethyl undecanoate","traditional_iupac":"ethyl undecanoate","logp":"4.536441463333333","pka":null,"alogps_solubility":"2.42e-03 g/l","alogps_logp":"5.45","alogps_logs":"-4.95","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"11","polar_surface_area":"26.3","refractivity":"63.59630000000001","polarizability":"27.99439981795418","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.032123337017739","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":[],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":19845354,"citation":"Robinson AL, Ebeler SE, Heymann H, Boss PK, Solomon PS, Trengove RD. (2009). \"Interactions between wine volatile compounds and grape and wine matrix components influence aroma compound headspace partitioning.\" J Agric Food Chem. 2009 Nov 11;57(21):10313-22."}],"proteins":[]}