1.02010-04-08 22:13:07 UTC2019-11-26 03:14:55 UTCFDB017472Isopropyl 2-methylpropanoateIt is used in fruit flavouring. Isopropyl 2-methylpropanoate is found in pineapple.1-Methylethyl 2-methylpropanoateFEMA 2937iso-C3H7C(O)OCH(CH3)2Isobutyric acid isopropyl esterIsobutyric acid, isopropyl esterIsopropyl 2-methylpropanoateIsopropyl isobutanoateIsopropyl isobutyrateIsopropyl isobutyrate [UN2406] [Flammable liquid]Propanoic acid, 2-methyl-, 1-methylethyl esterC7H14O2130.1849130.099379692propan-2-yl 2-methylpropanoateisopropyl isobutyrate617-50-5CC(C)OC(=O)C(C)CInChI=1S/C7H14O2/c1-5(2)7(8)9-6(3)4/h5-6H,1-4H3WVRPFQGZHKZCEB-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 compoundlogp2.16logs-1.34solubility5.99e+00 g/llogp1.94pka_strongest_basic-7.1iupacpropan-2-yl 2-methylpropanoateaverage_mass130.1849mono_mass130.099379692smilesCC(C)OC(=O)C(C)CformulaC7H14O2inchiInChI=1S/C7H14O2/c1-5(2)7(8)9-6(3)4/h5-6H,1-4H3inchikeyWVRPFQGZHKZCEB-UHFFFAOYSA-Npolar_surface_area26.3refractivity35.78polarizability15.04rotatable_bond_count3acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr7842Specdb::MsIr7843Specdb::CMs9287Specdb::CMs27273Specdb::CMs27739Specdb::CMs28101Specdb::CMs28107Specdb::CMs28149Specdb::CMs28551Specdb::CMs101932Specdb::CMs101933Specdb::CMs101934Specdb::CMs101935Specdb::CMs101936Specdb::CMs101937Specdb::CMs136143Specdb::CMs143877Specdb::MsMs99351Specdb::MsMs99352Specdb::MsMs99353Specdb::MsMs164484Specdb::MsMs164485Specdb::MsMs164486Specdb::MsMs2299950Specdb::MsMs2299951Specdb::MsMs2299952Specdb::MsMs2638930Specdb::MsMs2638931Specdb::MsMs2638932Specdb::NmrOneD25222Specdb::NmrOneD25223Specdb::NmrOneD25224Specdb::NmrOneD25225Specdb::NmrOneD25226Specdb::NmrOneD25227Specdb::NmrOneD25228Specdb::NmrOneD25229Specdb::NmrOneD25230Specdb::NmrOneD25231Specdb::NmrOneD25232Specdb::NmrOneD25233Specdb::NmrOneD25234Specdb::NmrOneD25235Specdb::NmrOneD25236Specdb::NmrOneD25237Specdb::NmrOneD25238Specdb::NmrOneD25239Specdb::NmrOneD25240Specdb::NmrOneD25241HMDB38227#<Reference:0x000055567554dc08>PineappleType 1specificAnanas comosus4615citrusfruitypearpineapplesweet