1.0 2010-04-08 22:10:21 UTC 2020-09-17 15:30:16 UTC FDB012761 Methyl linoleate Methyl linoleate belongs to the class of organic compounds known as linoleic acids which are derivatives of linoleic acid. Linoleic acid is a doubly unsaturated fatty acid, also known as an omega-6 fatty acid, occurring widely in plant glycosides. Methyl linoleate is an essentially neutral compound that is almost insoluble in water and soluble in alcohol. It has a low oily, fatty, woody odor ( http://www.thegoodscentscompany.com/data/rw1260021.html). Linoleic acid is an essential fatty acid that humans do not synthesize and must obtain from diet. Methyl linoleate is found in clove bud and fruit, garlic bulb, jasmin, white mustard, parsley leaf oil and witch hazel leaf oil (http://www.thegoodscentscompany.com/data/rw1260021.html#tooccur). It is part of a mixture with methyl linolenate (*FEMA 3411*) which is used as a flavouring ingredient in condiments and spices. (Z,Z)-9,12-octadecadienoic acid methyl ester 9,12-Octadecadienoic acid (9Z,12Z)-, methyl ester 9,12-Octadecadienoic acid (Z,Z)-, methyl ester 9,12-Octadecadienoic acid, methyl ester 9,12-Octadecadienoic acid, methyl ester, (Z,Z) 9,12-Octadecadienoic acid, methyl ester, (Z,Z)- cis-9,cis-12-Octadecadienoic acid, methyl ester Cis-linoleic acid methyl ester Linoleic acid methyl ester Linoleic acid, methyl ester Linoleic acid, methyl ester (8CI) Linoleic acid,methyl ester Methyl (9Z,12Z)-9,12-octadecadienoate methyl (9Z,12Z)-octadeca-9,12-dienoate Methyl (Z,Z)-9,12-octadecadienoate methyl (Z,Z)-9,12-octadienoate Methyl 9-cis,12-cis-octadecadienoate Methyl cis,cis-9, 12-octadecadienoate Methyl cis,cis-9,12-octadecadienoate Methyl ester(Z,Z)-9,12-octadecadienoic acid Methyl lineoleate Methyl linolate Methyl linoleate Methyl linoleate, native methyl octadeca-9,12-dienoate Methyl octadecadienoate Natural methyl linoleate C19H34O2 294.4721 294.255880332 methyl (9E,12Z)-octadeca-9,12-dienoate methyl (9E,12Z)-octadeca-9,12-dienoate 112-63-0 CCCCC\C=C/C\C=C\CCCCCCCC(=O)OC InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10+ WTTJVINHCBCLGX-QEFCTBRHSA-N belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. Lineolic acids and derivatives Organic compounds Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives Aliphatic acyclic compounds Carbonyl compounds Fatty acid methyl esters Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acid methyl ester Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Octadecanoid Organic oxide Organic oxygen compound Organooxygen compound logp 6.95 ALOGPS logs -6.76 ALOGPS solubility 5.14e-05 g/l ALOGPS melting_point Mp -35° logp 6.57 ChemAxon pka_strongest_basic -7 ChemAxon iupac methyl (9E,12Z)-octadeca-9,12-dienoate ChemAxon average_mass 294.4721 ChemAxon mono_mass 294.255880332 ChemAxon smiles CCCCC\C=C/C\C=C\CCCCCCCC(=O)OC ChemAxon formula C19H34O2 ChemAxon inchi InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10+ ChemAxon inchikey WTTJVINHCBCLGX-QEFCTBRHSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 93.29 ChemAxon polarizability 37.45 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23115 Specdb::MsMs 90798 Specdb::MsMs 90799 Specdb::MsMs 90800 Specdb::MsMs 154041 Specdb::MsMs 154042 Specdb::MsMs 154043 HMDB34381 #<Reference:0x00007f093c0b2538> Cloves Type 1 specific Syzygium aromaticum 219868 Flaxseed Type 1 specific Linum usitatissimum 4006 Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682 White mustard Type 1 specific Sinapis alba 3728 bland