{"ymdb_id":"YMDB01423","created_at":"2011-07-25T20:36:01.000Z","updated_at":"2016-09-08T18:36:40.000Z","name":"3-ethoxy-1-propanol","cas":"111-35-3","state":"Solid","melting_point":"160.5 oC","description":"3-ethoxy-1-propanol is a volatile ether alcohol compound found in wine and produced during fermentation.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":"extracellular","synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"8109","cs_id":"7818","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"3-ethoxypropan-1-ol","traditional_iupac":"3-ethoxy-1-propanol","logp":"-0.1487848833333337","pka":null,"alogps_solubility":"2.04e+02 g/l","alogps_logp":"0.17","alogps_logs":"0.29","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"4","polar_surface_area":"29.46","refractivity":"28.918799999999997","polarizability":"12.31569423702945","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-2.4052666567191237","pka_strongest_acidic":"15.899710432740914","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["1-Propanol, 3-ethoxy-","3-ethoxypropane-1-ol","3-ethoxypropanol","Propanol, 3-ethoxy","Propylene glycol beta-monoethyl ether","Propylene glycol monoethyl ether, \u0026beta","Propylene glycol monoethyl ether, beta"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":10552428,"citation":"Antonelli, A., Castellari, L., Zambonelli, C., Carnacini, A. (1999). \"Yeast influence on volatile composition of wines.\" J Agric Food Chem 47:1139-1144."},{"pubmed_id":12236692,"citation":"Patel, S., Shibamoto, T. (2002). \"Effect of different strains of Saccharomyces cerevisiae on production of volatiles in Napa Gamay wine and Petite Sirah wine.\" J Agric Food Chem 50:5649-5653."}],"proteins":[]}