1.0 2010-04-08 22:10:09 UTC 2015-07-20 22:50:00 UTC FDB012415 Octyl 3-methylbutanoate Flavouring agent Butanoic acid, 3-methyl-, octyl ester FEMA 2814 Isovaleric acid, octyl ester Isovaleric acid, octyl ester (8CI) n-Octyl-3-methyl butyrate Octyl 3-methylbutanoate Octyl 3-methylbutyrate Octyl isopentanoate Octyl isovalerate Octyl isovalerianate C13H26O2 214.3443 214.193280076 octyl 3-methylbutanoate octyl 3-methylbutanoate 7786-58-5 CCCCCCCCOC(=O)CC(C)C InChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-15-13(14)11-12(2)3/h12H,4-11H2,1-3H3 FUBGRVHGQADOJI-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. Fatty alcohol esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty alcohol ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Wax monoesters logp 5.01 ALOGPS logs -4.70 ALOGPS solubility 4.29e-03 g/l ALOGPS logp 4.46 ChemAxon pka_strongest_basic -7 ChemAxon iupac octyl 3-methylbutanoate ChemAxon average_mass 214.3443 ChemAxon mono_mass 214.193280076 ChemAxon smiles CCCCCCCCOC(=O)CC(C)C ChemAxon formula C13H26O2 ChemAxon inchi InChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-15-13(14)11-12(2)3/h12H,4-11H2,1-3H3 ChemAxon inchikey FUBGRVHGQADOJI-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 63.47 ChemAxon polarizability 27.48 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21879 Specdb::CMs 28380 Specdb::CMs 101524 Specdb::CMs 146268 Specdb::MsMs 104931 Specdb::MsMs 104932 Specdb::MsMs 104933 Specdb::MsMs 171312 Specdb::MsMs 171313 Specdb::MsMs 171314 Specdb::MsMs 2389112 Specdb::MsMs 2389113 Specdb::MsMs 2389114 Specdb::MsMs 2573135 Specdb::MsMs 2573136 Specdb::MsMs 2573137 HMDB34140 #<Reference:0x000055ce31754dd8> floral honey mild rose warm