{"ymdb_id":"YMDB01691","created_at":"2011-08-31T03:36:21.000Z","updated_at":"2016-09-08T18:37:00.000Z","name":"Ethylvanillate","cas":"617-05-0","state":"Solid","melting_point":"44 oC","description":"Ethyl vanillin is a compound responsible for a strong vanilla aroma similar to Bourbon.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"18615902","cs_id":"13923027","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2-ethyl-4-hydroxy-3-methoxybenzoic acid","traditional_iupac":"2-ethyl-4-hydroxy-3-methoxybenzoic acid","logp":"2.1275821909999992","pka":"10.252511481830819","alogps_solubility":"1.93e+00 g/l","alogps_logp":"1.81","alogps_logs":"-2.01","acceptor_count":"4","donor_count":"2","rotatable_bond_count":"3","polar_surface_area":"66.75999999999999","refractivity":"51.400500000000015","polarizability":"19.584088824407434","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":"-4.8983511277159915","pka_strongest_acidic":"4.028754646120483","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":["3-Methoxy-4-hydroxybenzoic acid, ethyl ester","4-Hydroxy-3-methoxybenzoic acid ethyl ester","Benzoic acid, 4-hydroxy-3-methoxy-, ethyl ester","Ethyl 4-hydroxy-3-methoxybenzoate","Ethyl vanillate","m-Anisic acid, 4-hydroxy-, ethyl ester","Vanillic acid, ethyl ester"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":17616208,"citation":"Loscos, N., Hernandez-Orte, P., Cacho, J., Ferreira, V. (2007). \"Release and formation of varietal aroma compounds during alcoholic fermentation from nonfloral grape odorless flavor precursors fractions.\" J Agric Food Chem 55:6674-6684."}],"proteins":[]}