1.0 2010-04-08 22:10:11 UTC 2019-11-26 03:06:48 UTC FDB012447 2-Methylpropyl butanoate Found in bananas. It is used in food flavouring. 2-Methyl-1-propyl butyrate 2-Methylpropyl butanoate 2-Methylpropyl butyrate Butanoic acid, 2-methylpropyl ester Butanoic acid, isobutyl ester Butanoic acid, methyl propyl ester Butyric acid, isobutyl ester FEMA 2187 Isobutyl butanoate Isobutyl butyrate Isobutyl ester of butanoic acid Isobutyl n-butyrate Isobutyl-n-butyrate N-butyric acid isobutyl ester C8H16O2 144.2114 144.115029756 2-methylpropyl butanoate 2-methylpropyl butanoate 539-90-2 CCCC(=O)OCC(C)C InChI=1S/C8H16O2/c1-4-5-8(9)10-6-7(2)3/h7H,4-6H2,1-3H3 RGFNRWTWDWVHDD-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Fatty acid esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound butyrate ester logp 2.65 ALOGPS logs -1.92 ALOGPS solubility 1.72e+00 g/l ALOGPS logp 2.31 ChemAxon pka_strongest_basic -7 ChemAxon iupac 2-methylpropyl butanoate ChemAxon average_mass 144.2114 ChemAxon mono_mass 144.115029756 ChemAxon smiles CCCC(=O)OCC(C)C ChemAxon formula C8H16O2 ChemAxon inchi InChI=1S/C8H16O2/c1-4-5-8(9)10-6-7(2)3/h7H,4-6H2,1-3H3 ChemAxon inchikey RGFNRWTWDWVHDD-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 40.38 ChemAxon polarizability 17.06 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 3303 Specdb::CMs 27265 Specdb::CMs 28359 Specdb::CMs 28974 Specdb::CMs 101533 Specdb::CMs 101534 Specdb::CMs 101535 Specdb::CMs 165927 Specdb::MsIr 6437 Specdb::MsIr 6438 Specdb::MsMs 68907 Specdb::MsMs 68908 Specdb::MsMs 68909 Specdb::MsMs 127050 Specdb::MsMs 127051 Specdb::MsMs 127052 Specdb::MsMs 2472456 Specdb::MsMs 2472457 Specdb::MsMs 2472458 Specdb::MsMs 2489889 Specdb::MsMs 2489890 Specdb::MsMs 2489891 Specdb::NmrOneD 124578 Specdb::NmrOneD 124579 Specdb::NmrOneD 124580 Specdb::NmrOneD 124581 Specdb::NmrOneD 124582 Specdb::NmrOneD 124583 Specdb::NmrOneD 124584 Specdb::NmrOneD 124585 Specdb::NmrOneD 124586 Specdb::NmrOneD 124587 Specdb::NmrOneD 124588 Specdb::NmrOneD 124589 Specdb::NmrOneD 124590 Specdb::NmrOneD 124591 Specdb::NmrOneD 124592 Specdb::NmrOneD 124593 Specdb::NmrOneD 124594 Specdb::NmrOneD 124595 Specdb::NmrOneD 124596 Specdb::NmrOneD 124597 HMDB34161 #<Reference:0x00007f093c1ad910> Apple Type 1 specific Malus pumila 283210 Asian pear Type 1 specific Pyrus pyrifolia 3767 Fruits Unknown generic Roman camomile Type 1 specific Chamaemelum nobile 99037 apple berry fruity pineapple rum sweet