{"ymdb_id":"YMDB01346","created_at":"2011-07-25T20:20:27.000Z","updated_at":"2016-09-08T18:36:34.000Z","name":"3-Methyl-2-butanol","cas":"598-75-4","state":"Solid","melting_point":"","description":"3-Methyl-2-butanol (commonly called sec-isoamyl alcohol) is an organic chemical compound. It is used as a solvent and an intermediate in the manufacture of other chemicals. [Wikipedia]","experimental_water_solubility":"56 mg/mL at 25 oC [BARTON,AFM (1984)]","experimental_logp_hydrophobicity":"1.28 [HANSCH,C ET AL. (1995)]","location":"extracellular","synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"11732","cs_id":"11239","foodb_id":null,"wikipedia_link":"3-Methyl-2-butanol","biocyc_id":null,"iupac":"3-methylbutan-2-ol","traditional_iupac":"3-methyl-2-butanol","logp":"1.142301132","pka":null,"alogps_solubility":"6.92e+01 g/l","alogps_logp":"0.89","alogps_logs":"-0.11","acceptor_count":"1","donor_count":"1","rotatable_bond_count":"1","polar_surface_area":"20.23","refractivity":"26.4243","polarizability":"10.901424777174142","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-1.40940009203592","pka_strongest_acidic":"18.17649727472355","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["(+)-3-Methyl-2-butanol","2-Butanol, 3-methyl-","3-Methyl butan-2-ol","Butan-2-ol, 3-methyl-","Methylisopropylcarbinol","sec-Isoamyl Alcohol"],"pathways":[],"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."},{"pubmed_id":17439666,"citation":"Castrillo, J. I., Zeef, L. A., Hoyle, D. C., Zhang, N., Hayes, A., Gardner, D. C., Cornell, M. J., Petty, J., Hakes, L., Wardleworth, L., Rash, B., Brown, M., Dunn, W. B., Broadhurst, D., O'Donoghue, K., Hester, S. S., Dunkley, T. P., Hart, S. R., Swainston, N., Li, P., Gaskell, S. J., Paton, N. W., Lilley, K. S., Kell, D. B., Oliver, S. G. (2007). \"Growth control of the eukaryote cell: a systems biology study in yeast.\" J Biol 6:4."}],"proteins":[]}