{"ymdb_id":"YMDB01591","created_at":"2011-08-31T03:25:47.000Z","updated_at":"2016-09-08T18:36:52.000Z","name":"2-Phenoxyethanol","cas":"122-99-6","state":"Liquid","melting_point":"14 oC","description":"2-Phenoxyethanol is a glycol ether with antimicrobial activity.","experimental_water_solubility":"26.7 mg/mL at 20 oC [YALKOWSKY,SH \u0026 DANNENFELSER,RM (1992)]","experimental_logp_hydrophobicity":"1.16 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"7715","cs_id":"13848467","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2-phenoxyethan-1-ol","traditional_iupac":"phenoxyethanol","logp":"1.1254725383333333","pka":null,"alogps_solubility":"2.41e+01 g/l","alogps_logp":"1.22","alogps_logs":"-0.76","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"3","polar_surface_area":"29.46","refractivity":"38.8135","polarizability":"14.913745490860894","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-2.754109483823025","pka_strongest_acidic":"15.102173105114254","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["1-Hydroxy-2-phenoxyethane","2-Fenoxyethanol","2-Hydroxyethyl phenyl ether","2-Phenoxyethanol (rose ether)","2-Phenoxyethyl alcohol","beta-Hydroxyethyl phenyl ether","beta-Phenoxyethanol","beta-Phenoxyethyl alcohol","Diethylene glycol monophenyl ether","Ethanol, 2-(2-phenoxyethoxy)-","Ethanol, 2-phenoxy-","Ethylene glycol monophenyl ether","Ethylene glycol phenyl ether","Glycol monophenyl ether","Phenoxethol","Phenoxetol","Phenoxydiglycol","Phenoxyethanol","Phenoxyethyl alcohol","Phenoxyl ethanol","Phenoxytol","Phenyl cellosolve","Phenylmonoglycol ether","Rose ether"],"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":[]}