1.0 2010-04-08 22:12:22 UTC 2015-07-20 23:28:47 UTC FDB016324 Methyl 9-undecenoate Flavouring ingredient with a brandy-like flavour FEMA 2750 Methyl 9-undecenoate Methyl 9E-undecenoate C12H22O2 198.3019 198.161979948 methyl (9E)-undec-9-enoate methyl (9E)-undec-9-enoate 37973-85-6 COC(=O)CCCCCCC\C=C\C InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-4H,5-11H2,1-2H3/b4-3+ RHRCWCJKYPOGNT-ONEGZZNKSA-N belongs to the class of organic compounds known as fatty acid methyl esters. Fatty acid methyl esters are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group. Fatty acid methyl esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic acyclic compounds Carbonyl compounds Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid methyl ester Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 4.81 ALOGPS logs -4.37 ALOGPS solubility 8.52e-03 g/l ALOGPS logp 3.82 ChemAxon pka_strongest_basic -7 ChemAxon iupac methyl (9E)-undec-9-enoate ChemAxon average_mass 198.3019 ChemAxon mono_mass 198.161979948 ChemAxon smiles COC(=O)CCCCCCC\C=C\C ChemAxon formula C12H22O2 ChemAxon inchi InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-4H,5-11H2,1-2H3/b4-3+ ChemAxon inchikey RHRCWCJKYPOGNT-ONEGZZNKSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 59.96 ChemAxon polarizability 25.25 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12860 Specdb::CMs 133903 Specdb::CMs 141637 Specdb::MsIr 7521 Specdb::MsIr 7522 Specdb::MsMs 71838 Specdb::MsMs 71839 Specdb::MsMs 71840 Specdb::MsMs 130596 Specdb::MsMs 130597 Specdb::MsMs 130598 Specdb::MsMs 2424088 Specdb::MsMs 2424089 Specdb::MsMs 2424090 Specdb::MsMs 2514232 Specdb::MsMs 2514233 Specdb::MsMs 2514234 HMDB37305 #<Reference:0x000055ce3261be20> earthy fatty floral fungal rose