1.0 2010-04-08 22:11:38 UTC 2019-11-26 03:11:10 UTC FDB015086 2-Methylpropyl hexanoate It is used in imitation pineapple flavouring. 2-Methylpropyl hexanoate is found in pepper (spice). 2-Methyl-1-propyl caproate 2-Methylpropyl hexanoate FEMA 2202 Hexanoic acid, 2-methylpropyl ester Hexanoic acid, isobutyl ester Iso-butyl n-hexanoate Isobutyl caproate Isobutyl hexanoate N-caproic acid isobutyl ester C10H20O2 172.2646 172.146329884 2-methylpropyl hexanoate 2-methylpropyl hexanoate 105-79-3 CCCCCC(=O)OCC(C)C InChI=1S/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3 UXUPPWPIGVTVQI-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 fatty acid ester logp 3.65 ALOGPS logs -3.01 ALOGPS solubility 1.69e-01 g/l ALOGPS logp 3.2 ChemAxon pka_strongest_basic -7 ChemAxon iupac 2-methylpropyl hexanoate ChemAxon average_mass 172.2646 ChemAxon mono_mass 172.146329884 ChemAxon smiles CCCCCC(=O)OCC(C)C ChemAxon formula C10H20O2 ChemAxon inchi InChI=1S/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3 ChemAxon inchikey UXUPPWPIGVTVQI-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 49.59 ChemAxon polarizability 21.17 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7218 Specdb::MsIr 7219 Specdb::MsMs 11465 Specdb::MsMs 11466 Specdb::MsMs 11467 Specdb::MsMs 18137 Specdb::MsMs 18138 Specdb::MsMs 18139 Specdb::MsMs 2385710 Specdb::MsMs 2385711 Specdb::MsMs 2385712 Specdb::MsMs 2576598 Specdb::MsMs 2576599 Specdb::MsMs 2576600 Specdb::CMs 2642 Specdb::CMs 27886 Specdb::CMs 28564 Specdb::CMs 101810 Specdb::CMs 101811 Specdb::CMs 158141 HMDB36228 #<Reference:0x00007f093c0b8348> Asian pear Type 1 specific Pyrus pyrifolia 3767 Pepper (Spice) Type 1 specific Piper nigrum 13216 fruity green peach pineapple sweet tropical