1.0 2010-04-08 22:13:54 UTC 2019-11-26 03:16:36 UTC FDB018747 Hexyl 2-methylbutanoate Flavouring ingredient 2-Methylbutanoic acid, n-hexyl ester Bromoacetylcarnitine Butanoic acid, 2-methyl-, hexyl ester Butyric acid, 2-methyl-, hexyl ester FEMA 3499 Hexyl 2-methylbutanoate Hexyl 2-methylbutyrate n-Hexyl 2-methyl butyrate n-Hexyl 2-methylbutanoate C11H22O2 186.2912 186.161979948 hexyl 2-methylbutanoate hexyl 2-methylbutanoate 10032-15-2 CCCCCCOC(=O)C(C)CC InChI=1S/C11H22O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h10H,4-9H2,1-3H3 YUECNVSODFDKOQ-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 logp 4.10 ALOGPS logs -3.55 ALOGPS solubility 5.27e-02 g/l ALOGPS logp 3.82 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac hexyl 2-methylbutanoate ChemAxon average_mass 186.2912 ChemAxon mono_mass 186.161979948 ChemAxon smiles CCCCCCOC(=O)C(C)CC ChemAxon formula C11H22O2 ChemAxon inchi InChI=1S/C11H22O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h10H,4-9H2,1-3H3 ChemAxon inchikey YUECNVSODFDKOQ-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 54.29 ChemAxon polarizability 23.41 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19139 Specdb::CMs 28633 Specdb::CMs 102014 Specdb::CMs 160619 Specdb::MsMs 76149 Specdb::MsMs 76150 Specdb::MsMs 76151 Specdb::MsMs 135921 Specdb::MsMs 135922 Specdb::MsMs 135923 Specdb::MsMs 2778017 Specdb::MsMs 2778018 Specdb::MsMs 2778019 Specdb::MsMs 2901378 Specdb::MsMs 2901379 Specdb::MsMs 2901380 Specdb::MsIr 8114 Specdb::MsIr 8115 HMDB39215 #<Reference:0x000055ce31df6bc8> Apple Type 1 specific Malus pumila 283210 Asian pear Type 1 specific Pyrus pyrifolia 3767 Sweet cherry Type 1 specific Prunus avium 42229 apple fruity green spicy strawberry tropical waxy