{"ymdb_id":"YMDB01688","created_at":"2011-08-31T03:36:01.000Z","updated_at":"2016-09-08T18:37:00.000Z","name":"Ethyl-4-hydroxybenzoate","cas":"120-47-8","state":"Solid","melting_point":"117 oC","description":"Ethylparaben (ethyl 4-hydrobenzoate) is the ethyl ester of p-hydroxybenzoic acid. It is a member of the class of compounds known as parabens.","experimental_water_solubility":"0.885 mg/mL at 25 oC [YALKOWSKY,SH \u0026 HE,Y (2003)]","experimental_logp_hydrophobicity":"2.47 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"8434","cs_id":"13846749","foodb_id":null,"wikipedia_link":"Ethylparaben","biocyc_id":null,"iupac":"ethyl 4-hydroxybenzoate","traditional_iupac":"ethylparaben","logp":"2.0299654129999998","pka":null,"alogps_solubility":"2.49e+00 g/l","alogps_logp":"2.76","alogps_logs":"-1.82","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"3","polar_surface_area":"46.53","refractivity":"44.8128","polarizability":"17.230764877168575","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-6.06439964678776","pka_strongest_acidic":"8.500251683958489","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":["4-(Ethoxycarbonyl)phenol","4-Carbethoxyphenol","4-Hydroxybenzoic acid, ethyl ester","Aseptin a","Aseptine a","Aseptoform E","Benzoic acid, 4-hydroxy-, ethyl ester","Benzoic acid, p-hydroxy-, ethyl ester","Bonomold OE","Easeptol","Ester etylowykwasu p-hydroksybenzoesowego","Ethyl 4-hydroxybenzoate","Ethyl Butex","Ethyl p-hydroxybenzoate","Ethyl p-oxybenzoate","Ethyl para-hydroxybenzoate","Ethyl paraben","Ethyl parasept","Ethylester kyseliny p-hydroxybenzoove","Ethylparaben","Keloform","Mycocten","Napagin A","Nipagin A","Nipagina A","Nipazin A","p-Carbethoxyphenol","p-Hydroxybenzoate ethyl ester","p-Hydroxybenzoic acid ethyl ester","p-Hydroxybenzoic acid, ethyl ester","p-Hydroxybenzoic ethyl ester","p-Oxybenzoesaeureaethylester","Para-hydroxybenzoic acid ethyl ester","Sobrol A","Solbrol A","Tegosept E"],"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":[]}