1.0 2010-04-08 22:04:41 UTC 2015-07-20 21:33:55 UTC FDB000744 Methyl 10-undecenoate Flavouring ingredient. [CCD] 10-Hendecenoic acid, methyl ester 10-Undecenoic acid methyl ester 10-Undecenoic acid, methyl ester Methyl 10-undecenate Methyl 10-undecenoate Methyl ester OF 10-undecenoic acid Methyl undec-10-enoate Methyl undecenate Methyl undecenoate Undecenoic acid, methyl ester Undecylenic acid methyl ester Undecylenic acid, methyl ester C12H22O2 198.3019 198.161979948 methyl undec-10-enoate methyl undec-10-enoate 111-81-9 COC(=O)CCCCCCCCC=C InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3H,1,4-11H2,2H3 KISVAASFGZJBCY-UHFFFAOYSA-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 fatty acid methyl ester Liquid logp 4.44 ALOGPS logs -4.82 ALOGPS solubility 3.03e-03 g/l ALOGPS melting_point Fp ?27.5° logp 3.88 ChemAxon pka_strongest_basic -7 ChemAxon iupac methyl undec-10-enoate ChemAxon average_mass 198.3019 ChemAxon mono_mass 198.161979948 ChemAxon smiles COC(=O)CCCCCCCCC=C ChemAxon formula C12H22O2 ChemAxon inchi InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3H,1,4-11H2,2H3 ChemAxon inchikey KISVAASFGZJBCY-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 58.89 ChemAxon polarizability 24.95 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 3484 Specdb::MsIr 3485 Specdb::CMs 17062 Specdb::CMs 27210 Specdb::CMs 27904 Specdb::CMs 27905 Specdb::CMs 28067 Specdb::CMs 28084 Specdb::CMs 29412 Specdb::CMs 100329 Specdb::CMs 100330 Specdb::CMs 100331 Specdb::CMs 100332 Specdb::CMs 100333 Specdb::CMs 100334 Specdb::CMs 146824 Specdb::MsMs 46440 Specdb::MsMs 46441 Specdb::MsMs 46442 Specdb::MsMs 159930 Specdb::MsMs 159931 Specdb::MsMs 159932 Specdb::MsMs 3042658 Specdb::MsMs 3042659 Specdb::MsMs 3042660 Specdb::MsMs 3097549 Specdb::MsMs 3097550 Specdb::MsMs 3097551 HMDB29585 #<Reference:0x000055ce331a3180> citrus earthy fatty floral fungal rose soapy waxy