1.0 2010-04-08 22:13:07 UTC 2019-11-26 03:14:55 UTC FDB017472 Isopropyl 2-methylpropanoate It is used in fruit flavouring. Isopropyl 2-methylpropanoate is found in pineapple. 1-Methylethyl 2-methylpropanoate FEMA 2937 iso-C3H7C(O)OCH(CH3)2 Isobutyric acid isopropyl ester Isobutyric acid, isopropyl ester Isopropyl 2-methylpropanoate Isopropyl isobutanoate Isopropyl isobutyrate Isopropyl isobutyrate [UN2406] [Flammable liquid] Propanoic acid, 2-methyl-, 1-methylethyl ester C7H14O2 130.1849 130.099379692 propan-2-yl 2-methylpropanoate isopropyl isobutyrate 617-50-5 CC(C)OC(=O)C(C)C InChI=1S/C7H14O2/c1-5(2)7(8)9-6(3)4/h5-6H,1-4H3 WVRPFQGZHKZCEB-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 esters Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Aliphatic acyclic compounds Carbonyl compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 2.16 ALOGPS logs -1.34 ALOGPS solubility 5.99e+00 g/l ALOGPS logp 1.94 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac propan-2-yl 2-methylpropanoate ChemAxon average_mass 130.1849 ChemAxon mono_mass 130.099379692 ChemAxon smiles CC(C)OC(=O)C(C)C ChemAxon formula C7H14O2 ChemAxon inchi InChI=1S/C7H14O2/c1-5(2)7(8)9-6(3)4/h5-6H,1-4H3 ChemAxon inchikey WVRPFQGZHKZCEB-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 35.78 ChemAxon polarizability 15.04 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7842 Specdb::MsIr 7843 Specdb::CMs 9287 Specdb::CMs 27273 Specdb::CMs 27739 Specdb::CMs 28101 Specdb::CMs 28107 Specdb::CMs 28149 Specdb::CMs 28551 Specdb::CMs 101932 Specdb::CMs 101933 Specdb::CMs 101934 Specdb::CMs 101935 Specdb::CMs 101936 Specdb::CMs 101937 Specdb::CMs 136143 Specdb::CMs 143877 Specdb::NmrOneD 25222 Specdb::NmrOneD 25223 Specdb::NmrOneD 25224 Specdb::NmrOneD 25225 Specdb::NmrOneD 25226 Specdb::NmrOneD 25227 Specdb::NmrOneD 25228 Specdb::NmrOneD 25229 Specdb::NmrOneD 25230 Specdb::NmrOneD 25231 Specdb::NmrOneD 25232 Specdb::NmrOneD 25233 Specdb::NmrOneD 25234 Specdb::NmrOneD 25235 Specdb::NmrOneD 25236 Specdb::NmrOneD 25237 Specdb::NmrOneD 25238 Specdb::NmrOneD 25239 Specdb::NmrOneD 25240 Specdb::NmrOneD 25241 Specdb::MsMs 99351 Specdb::MsMs 99352 Specdb::MsMs 99353 Specdb::MsMs 164484 Specdb::MsMs 164485 Specdb::MsMs 164486 Specdb::MsMs 2299950 Specdb::MsMs 2299951 Specdb::MsMs 2299952 Specdb::MsMs 2638930 Specdb::MsMs 2638931 Specdb::MsMs 2638932 HMDB38227 #<Reference:0x0000561272d9d890> Pineapple Type 1 specific Ananas comosus 4615 citrus fruity pear pineapple sweet