1.0 2010-04-08 22:08:56 UTC 2025-11-18 23:18:23 UTC FDB010042 2-Pentyl 2-methylpentanoate It is used as a food additive . C11H22O2 186.295 186.161979948 pentan-2-yl 2-methylpentanoate pentan-2-yl 2-methylpentanoate 90397-36-7 CCCC(C)OC(=O)C(C)CCC InChI=1S/C11H22O2/c1-5-7-9(3)11(12)13-10(4)8-6-2/h9-10H,5-8H2,1-4H3 CFWDCGXDJBSHMZ-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 4.08 ALOGPS logs -3.25 ALOGPS solubility 1.04e-01 g/l ALOGPS logp 3.8 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac pentan-2-yl 2-methylpentanoate ChemAxon average_mass 186.295 ChemAxon mono_mass 186.161979948 ChemAxon smiles CCCC(C)OC(=O)C(C)CCC ChemAxon formula C11H22O2 ChemAxon inchi InChI=1S/C11H22O2/c1-5-7-9(3)11(12)13-10(4)8-6-2/h9-10H,5-8H2,1-4H3 ChemAxon inchikey CFWDCGXDJBSHMZ-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 54.11 ChemAxon polarizability 22.89 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 97359 Specdb::MsMs 97360 Specdb::MsMs 97361 Specdb::MsMs 162063 Specdb::MsMs 162064 Specdb::MsMs 162065 Specdb::MsMs 3605080 Specdb::MsMs 3605081 Specdb::MsMs 3605082 Specdb::MsMs 3605083 Specdb::MsMs 3605084 Specdb::MsMs 3605085 254590 pear