{"ymdb_id":"YMDB01589","created_at":"2011-08-31T03:25:28.000Z","updated_at":"2016-09-08T18:36:52.000Z","name":"2-Methylpropyl acetate","cas":"110-19-0","state":"Liquid","melting_point":"-98.8 oC","description":"2-Methylpropyl acetate is a compound found in fruits, brandies and fortified wines.","experimental_water_solubility":"6.3 mg/mL at 25 oC [YALKOWSKY,SH \u0026 DANNENFELSER,RM (1992)]","experimental_logp_hydrophobicity":"1.78 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"8038","cs_id":"7747","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2-methylpropyl acetate","traditional_iupac":"isobutyl acetate","logp":"1.166851517666667","pka":null,"alogps_solubility":"7.71e+00 g/l","alogps_logp":"1.74","alogps_logs":"-1.18","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"3","polar_surface_area":"26.3","refractivity":"31.157000000000004","polarizability":"13.110114105919525","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-6.994378543053144","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["2-Methyl-1-propanol, acetate","2-Methyl-1-propyl acetate","2-Methylpropyl ethanoate","Acetic acid, 2-methylpropyl ester","Acetic acid, isobutyl ester","beta-Methylpropyl ethanoate","Ethanoate","i-Butyl acetate","Isobutyl acetate","Isobutyl ethanoate","Isobutylester kyseliny octove"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}