{"ymdb_id":"YMDB01377","created_at":"2011-07-25T20:24:27.000Z","updated_at":"2016-09-08T18:36:36.000Z","name":"2-Propyn-1-ol","cas":"107-19-7","state":"Liquid","melting_point":"-50 oC","description":"2-Propyn-1-ol is a volatile alcohol found in wine and produced during fermentation. It has an odor like Pelargonium geraniums. [Wikipedia]","experimental_water_solubility":"1000 mg/mL at 20 oC [YALKOWSKY,SH \u0026 DANNENFELSER,RM (1992)]","experimental_logp_hydrophobicity":"-0.38 [HANSCH,C ET AL. (1995)]","location":"extracellular","synthesis_reference":null,"chebi_id":"28905","hmdb_id":null,"kegg_id":"C05986","pubchem_id":"7859","cs_id":"21106466","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"prop-2-yn-1-ol","traditional_iupac":"propargyl alcohol","logp":"-0.29049402266666663","pka":null,"alogps_solubility":"1.86e+00 g/l","alogps_logp":"-0.70","alogps_logs":"-1.48","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"0","polar_surface_area":"20.23","refractivity":"15.841499999999998","polarizability":"5.7799188476728505","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-3.389635942012389","pka_strongest_acidic":"13.649209094621881","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["1-Hydroxy-2-propyne","1-Propyn-3-ol","1-Propyn-3-yl alcohol","1-Propyne-3-ol","2-Propyn-1-ol","2-Propynol","2-Propynyl alcohol","3-Hydroxy-1-propyne","3-Propynol","Acetylene carbinol","Acetylenylcarbinol","Ethynyl carbinol","Ethynylcarbinol","Methanol, ethynyl-","Prop-2-in-1-ol","prop-2-yn-1-ol","Prop-2-yne-1-ol","Propargyl alcohol","Propynyl alcohol"],"pathways":[{"name":"Propanoate metabolism","kegg_map_id":"00640"}],"growth_conditions":[],"references":[{"pubmed_id":20151225,"citation":"Tsakiris, A., Koutinas, A. A., Psarianos, C., Kourkoutas, Y., Bekatorou, A. (2010). \"A new process for wine production by penetration of yeast in uncrushed frozen grapes.\" Appl Biochem Biotechnol 162:1109-1121."}],"proteins":[]}