{"ymdb_id":"YMDB01405","created_at":"2011-07-25T20:33:44.000Z","updated_at":"2016-09-08T18:36:38.000Z","name":"propylene glycol","cas":"57-55-6","state":"Liquid","melting_point":"-60 oC","description":"Propylene glycol, also called 1,2-propanediol or propane-1,2-diol, is an organic compound (a diol or double alcohol) with formula C3H8O2 or HO-CH2-CHOH-CH3. It is a colorless, nearly odorless, clear, viscous liquid with a faintly sweet taste, hygroscopic and miscible with water, acetone, and chloroform. The compound is sometimes called α-propylene glycol to distinguish it from the isomer propane-1,3-diol HO-(CH2)3-OH, also called β-propylene glycol. [Wikipedia]","experimental_water_solubility":"1000 mg/mL at 20 oC [YALKOWSKY,SH \u0026 DANNENFELSER,RM (1992)]","experimental_logp_hydrophobicity":"-0.92 [HANSCH,C ET AL. (1995)]","location":"extracellular","synthesis_reference":"Tuck, Michael William Marshall.  Preparation of propylene glycol by hydrogenation of glycerol.    PCT Int. Appl.  (2008),     20pp.","chebi_id":null,"hmdb_id":"HMDB01881","kegg_id":"C00583","pubchem_id":"1030","cs_id":"13835224","foodb_id":null,"wikipedia_link":"1,2-Propanediol","biocyc_id":"PROPANE-1,2-DIOL","iupac":"propane-1,2-diol","traditional_iupac":"1,2-propanediol","logp":"-0.7921040560000001","pka":"15.996044021064442","alogps_solubility":"9.52e+02 g/l","alogps_logp":"-1.10","alogps_logs":"1.10","acceptor_count":"2","donor_count":"2","rotatable_bond_count":"1","polar_surface_area":"40.46","refractivity":"18.9724","polarizability":"8.010010240094317","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-2.8584492517004216","pka_strongest_acidic":"14.470762978766011","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["-Propylene glycol","(9Z)-Octadecenoic acid","(RS)-1,2-Propanediol","(Z)-Octadec-9-enoic acid","\u0026alpha","1,2-(RS)-Propanediol","1,2-Dihydroxypropane","1,2-Propandiol","1,2-Propanediol","1,2-propanediol (propylene glycol)","1,2-Propylene glycol","1,2-Propylenglykol","18:1 n-9","18:1Delta9cis","2-Hydroxypropanol","2,3-Propanediol","a-Propylene glycol","Aliphatic alcohol","alpha-Propylene glycol","C18:1 n-9","Chilisa FE","cis-9-octadecenoic acid","cis-Delta(9)-octadecenoic acid","cis-oleic acid","DL-1,2-Propanediol","dl-Propylene glycol","Dowfrost","glycol","Ilexan P","Inhibited 1,2-propylene glycol","Isopropylene glycol","Methyl glycol","Methylethyl glycol","Methylethylene glycol","Monopropylene glycol","Octadec-9-enoic acid","Oelsaeure","Oleic acid","Prolugen","Propane-1,2-diol","Propanediol","propylene glycol (1,2-propanediol)","Propylene glycol usp","propylenglycol","R-(-)-1,2-propanediol","Sentry Propylene Glycol","Sirlene","Solar Winter Ban","Solargard P","Trimethyl glycol"],"pathways":[{"name":"Glycerolipid metabolism","kegg_map_id":"00561"},{"name":"Pyruvate metabolism","kegg_map_id":"00620"}],"growth_conditions":[],"references":[{"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":[]}