{"ymdb_id":"YMDB01426","created_at":"2011-07-25T20:36:24.000Z","updated_at":"2016-09-08T18:36:40.000Z","name":"benzyl alcohol","cas":"100-51-6","state":"Liquid","melting_point":"-15.2 oC","description":"Benzyl alcohol is an organic compound with the formula C6H5CH2OH. The benzyl group is often abbreviated \"Bn\", thus benzyl alcohol is denoted as BnOH. Benzyl alcohol is a colorless liquid with a mild pleasant aromatic odor. It is a useful solvent due to its polarity, low toxicity, and low vapor pressure. [Wikipedia]","experimental_water_solubility":"42.9 mg/mL at 25 oC [YALKOWSKY,SH \u0026 DANNENFELSER,RM (1992)]","experimental_logp_hydrophobicity":"1.10 [HANSCH,C ET AL. (1995)]","location":"extracellular","synthesis_reference":"Xu, Hua-Long; Huang, Jing-Jing; Yang, Xin-Yan; Du, Jun-Ming; Shen, Jiang; Shen, Wei.  Consecutive hydrogenation of methyl benzoate to non-chloride benzyl alcohol over K-MnO/g-Al2O3 and Cu/SiO2 catalysts.    Huaxue Xuebao  (2006),  64(16),  1615-1621.  ","chebi_id":"17987","hmdb_id":"HMDB03119","kegg_id":"C00556","pubchem_id":"244","cs_id":"13860335","foodb_id":null,"wikipedia_link":"benzyl_alcohol","biocyc_id":"34-DIMETHYLBENZYL-ALCOHOL","iupac":"phenylmethanol","traditional_iupac":"benzyl alcohol","logp":"1.2058960486666668","pka":null,"alogps_solubility":"2.68e+01 g/l","alogps_logp":"1.07","alogps_logs":"-0.61","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"1","polar_surface_area":"20.23","refractivity":"32.8739","polarizability":"11.89124151494201","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-2.7903441343291844","pka_strongest_acidic":"15.019332111730257","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":[".alpha.-hydroxytoluene",".alpha.-toluenol","(hydroxymethyl)benzene","a-Hydroxytoluene","a-Toluenol","alcoholum benzylicum","Alcool benzylique","alpha-hydroxytoluene","Alpha-toluenol","Aromatic primary alcohol","Bentalol","Benzal alcohol","Benzenecarbinol","Benzenemethanol","benzenmethanol","Benzoyl alcohol","Benzyl alcohol","Benzyl alkohol","Benzyl-alcohol","BenzylAlcohol","Benzylalkohol","Benzylic alcohol","Benzylicum","Enzylalcohol","hydroxymethylbenzene","Hydroxytoluene","MBN","Methanol benzene","Methanol, phenyl-","Phenolcarbinol","Phenylcarbinol","Phenylcarbinolum","phenylmethanol","Phenylmethyl alcohol"],"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":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."},{"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":[]}