1.02010-04-08 22:04:56 UTC2015-07-20 21:40:02 UTCFDB001363Isopropyl propionateFlavouring ingredient1-Methylethyl propanoateC2H5C(O)OCH(CH3)2FEMA 2959Iso-propyl n-propionateIso-propyl propanoateIsopropyl ester of propanoic acidIsopropyl propanoateIsopropyl propionateIsopropyl propionate [UN2409] [Flammable liquid]Propanoic acid, 1-methylethyl esterPropionic acid isopropyl esterPropionic acid, isopropyl esterC6H12O2116.1583116.083729628propan-2-yl propanoateisopropyl propionate637-78-5CCC(=O)OC(C)CInChI=1S/C6H12O2/c1-4-6(7)8-5(2)3/h5H,4H2,1-3H3IJMWOMHMDSDKGK-UHFFFAOYSA-N belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).Carboxylic acid estersOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesCarboxylic acid derivativesAliphatic acyclic compoundsCarbonyl compoundsHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesAliphatic acyclic compoundCarbonyl groupCarboxylic acid esterHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundlogp1.73logs-0.95solubility1.30e+01 g/llogp1.4pka_strongest_basic-7iupacpropan-2-yl propanoateaverage_mass116.1583mono_mass116.083729628smilesCCC(=O)OC(C)CformulaC6H12O2inchiInChI=1S/C6H12O2/c1-4-6(7)8-5(2)3/h5H,4H2,1-3H3inchikeyIJMWOMHMDSDKGK-UHFFFAOYSA-Npolar_surface_area26.3refractivity31.21polarizability12.93rotatable_bond_count3acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr3811Specdb::MsIr3812Specdb::CMs9419Specdb::CMs27031Specdb::CMs28086Specdb::CMs28143Specdb::CMs28284Specdb::CMs100500Specdb::CMs100501Specdb::CMs100502Specdb::CMs100503Specdb::CMs134951Specdb::CMs142685Specdb::MsMs18110Specdb::MsMs18111Specdb::MsMs18112Specdb::MsMs2597599Specdb::MsMs2597600Specdb::MsMs2597601Specdb::MsMs11438Specdb::MsMs11439Specdb::MsMs11440Specdb::MsMs2364673Specdb::MsMs2364674Specdb::MsMs2364675Specdb::NmrOneD160649Specdb::NmrOneD160650Specdb::NmrOneD160651Specdb::NmrOneD160652Specdb::NmrOneD160653Specdb::NmrOneD160654Specdb::NmrOneD160655Specdb::NmrOneD160656Specdb::NmrOneD160657Specdb::NmrOneD160658Specdb::NmrOneD160659Specdb::NmrOneD160660Specdb::NmrOneD160661Specdb::NmrOneD160662Specdb::NmrOneD160663Specdb::NmrOneD160664Specdb::NmrOneD160665Specdb::NmrOneD160666Specdb::NmrOneD160667Specdb::NmrOneD160668HMDB30056#<Reference:0x00005556755f77f8>bananabitteretherfruitypineapplesweet