{"ymdb_id":"YMDB01428","created_at":"2011-07-25T20:36:38.000Z","updated_at":"2016-09-08T18:36:40.000Z","name":"3-methyl-1-pentanol","cas":"589-35-5","state":null,"melting_point":null,"description":"3-methyl-1-pentanol is a branched chain primary alcohol found in wine and produced during fermentation.","experimental_water_solubility":"4.3 mg/mL at 25 oC [YALKOWSKY,SH \u0026 DANNENFELSER,RM (1992)]","experimental_logp_hydrophobicity":null,"location":"extracellular","synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"11508","cs_id":"11024","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"3-methylpentan-1-ol","traditional_iupac":"3-methyl-1-pentanol","logp":"1.536909707333333","pka":null,"alogps_solubility":"1.03e+01 g/l","alogps_logp":"1.95","alogps_logs":"-1.00","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"3","polar_surface_area":"20.23","refractivity":"31.284499999999998","polarizability":"12.967789995940239","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-1.8759716752269142","pka_strongest_acidic":"17.10980412613874","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["1-Pentanol, 3-methyl-","2-Ethyl-4-butanol","3-Ethyl-1-butanol","3-methyl pentan-1-ol","3-Methylpentanol"],"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."}],"proteins":[]}