{"ymdb_id":"YMDB01636","created_at":"2011-08-31T03:30:43.000Z","updated_at":"2016-09-08T18:36:55.000Z","name":"Amyl propanoate","cas":"624-54-4","state":"Liquid","melting_point":"-73.1 oC","description":"Amyl propanoate is a compound responsible for apricot-like aromas in Rieslings and Champagnes.","experimental_water_solubility":"0.81 mg/mL at 25 oC [HINE,J \u0026 MOOKERJEE,PK (1975)]","experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"12217","cs_id":"11716","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"pentyl propanoate","traditional_iupac":"amyl propionate","logp":"2.391551868333333","pka":null,"alogps_solubility":"1.00e+00 g/l","alogps_logp":"2.93","alogps_logs":"-2.16","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"6","polar_surface_area":"26.3","refractivity":"40.514300000000006","polarizability":"17.507976596184257","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.029676526767397","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":["Amyl propionate","N-Amyl n-propionate","n-Pentyl propanoate","n-Pentyl propionate","Pentyl propanate","Pentyl propanoate","Pentyl propionate","Propanoic acid, pentyl ester","Propionic acid, pentyl ester"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}