1.0 2010-04-08 22:13:40 UTC 2015-07-21 06:27:28 UTC FDB018371 3-Methylbutyl decanoate Food flavouring 3-Methylbuthyl ester pentadecanoic acid 3-Methylbutyl decanoate Decanoic Acid, 3-methylbutyl Ester Iso-amyl n-decanoate Isoamyl caprate Isoamyl decanoate Isopentyl decanoate Pentadecanoic acid, 3-methylbutyl ester C15H30O2 242.3975 242.224580204 3-methylbutyl decanoate 3-methylbutyl decanoate 2306-91-4 CCCCCCCCCC(=O)OCCC(C)C InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-15(16)17-13-12-14(2)3/h14H,4-13H2,1-3H3 XDOGFYDZGUDBQY-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 5.87 ALOGPS logs -5.62 ALOGPS solubility 5.79e-04 g/l ALOGPS logp 5.35 ChemAxon pka_strongest_basic -7 ChemAxon iupac 3-methylbutyl decanoate ChemAxon average_mass 242.3975 ChemAxon mono_mass 242.224580204 ChemAxon smiles CCCCCCCCCC(=O)OCCC(C)C ChemAxon formula C15H30O2 ChemAxon inchi InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-15(16)17-13-12-14(2)3/h14H,4-13H2,1-3H3 ChemAxon inchikey XDOGFYDZGUDBQY-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 72.67 ChemAxon polarizability 31.81 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2717 Specdb::CMs 28196 Specdb::CMs 28224 Specdb::CMs 28697 Specdb::CMs 101990 Specdb::CMs 101991 Specdb::CMs 101992 Specdb::CMs 130841 Specdb::CMs 138575 Specdb::MsMs 81939 Specdb::MsMs 81940 Specdb::MsMs 81941 Specdb::MsMs 143172 Specdb::MsMs 143173 Specdb::MsMs 143174 Specdb::MsMs 2729689 Specdb::MsMs 2729690 Specdb::MsMs 2729691 Specdb::MsMs 2975363 Specdb::MsMs 2975364 Specdb::MsMs 2975365 HMDB38907 #<Reference:0x000055ce31ee6060> White wine Type 2 0.0 0.0 0.0 mg/100 g banana cognac fruity green sweet waxy