Fatty acid methyl esters in 2,2,4-trimethylpentane
Product Code
NIST-2377
CAS Number
26 AnalytesDocumentation
Certificate of Analysis
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Product Information
Analyte Name
Concentration
CAS Number
Molecular Structure
Docosahexaenoic Acid Methyl Ester (DHA ME)
0.1621 %
-
Eicosapentaenoic acid methyl ester (EPA ME)
0.1526 %
-
gamma-Linolenic Acid Methyl Ester
0.1796 %
-
Arachidic Acid Methylester
Accurate Mass
326.3185
Smiles
CCCCCCCCCCCCCCCCCCCC(=O)OC
InChI
InChI=1S/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h3-20H2,1-2H3
IUPAC
methyl icosanoate
Arachidonic acid methyl ester
Accurate Mass
318.2559
Smiles
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC
InChI
InChI=1S/C21H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
IUPAC
methyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Behenic Acid Methylester
Accurate Mass
354.3498
Smiles
CCCCCCCCCCCCCCCCCCCCCC(=O)OC
InChI
InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3
IUPAC
methyl docosanoate
Capric Acid Methyl Ester
Accurate Mass
186.162
Smiles
CCCCCCCCCC(=O)OC
InChI
InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
IUPAC
methyl decanoate
Caprylic Acid Methyl Ester
Accurate Mass
158.1307
Smiles
CCCCCCCC(=O)OC
InChI
InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
IUPAC
methyl octanoate
cis-Methylvaccenate
Accurate Mass
296.2715
Smiles
CCCCCC\C=C/CCCCCCCCCC(=O)OC
InChI
InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h8-9H,3-7,10-18H2,1-2H3/b9-8-
IUPAC
methyl (Z)-octadec-11-enoate
Docosahexaenoic Acid Methyl Ester (DHA ME)
Accurate Mass
342.2559
Smiles
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC
InChI
InChI=1S/C23H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h4-5,7-8,10-11,13-14,16-17,19-20H,3,6,9,12,15,18,21-22H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19-
IUPAC
methyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Dodecanoic acid-methyl ester
Accurate Mass
214.1933
Smiles
CCCCCCCCCCCC(=O)OC
InChI
InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3
IUPAC
methyl dodecanoate
DPA Methyl Ester
Accurate Mass
344.2715
Smiles
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC
InChI
InChI=1S/C23H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-22H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-
IUPAC
methyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
Eicosapentaenoic acid methyl ester (EPA ME)
Accurate Mass
316.2402
Smiles
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC
InChI
InChI=1S/C21H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-20H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-
IUPAC
methyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Elaidic acid methyl ester
Accurate Mass
296.2715
Smiles
CCCCCCCC\C=C\CCCCCCCC(=O)OC
InChI
InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10+
IUPAC
methyl (E)-octadec-9-enoate
Erucic acid methyl ester
Accurate Mass
352.3341
Smiles
CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC
InChI
InChI=1S/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h10-11H,3-9,12-22H2,1-2H3/b11-10-
IUPAC
methyl (Z)-docos-13-enoate
gamma-Linolenic Acid Methyl Ester
Accurate Mass
292.2402
Smiles
CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC
InChI
InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11,13-14H,3-6,9,12,15-18H2,1-2H3/b8-7-,11-10-,14-13-
IUPAC
methyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Gondolic Acid Methyl Ester
Accurate Mass
324.3028
Smiles
CCCCCCCC\C=C/CCCCCCCCCC(=O)OC
InChI
InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11H,3-9,12-20H2,1-2H3/b11-10-
IUPAC
methyl (Z)-icos-11-enoate
Linoelaidic methyl ester
Accurate Mass
294.2559
Smiles
CCCCC\C=C\C\C=C\CCCCCCCC(=O)OC
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+
IUPAC
methyl (9E,12E)-octadeca-9,12-dienoate
Linoleic Acid Methyl Ester
Accurate Mass
294.2559
Smiles
CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC
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-
IUPAC
methyl (9Z,12Z)-octadeca-9,12-dienoate
Linolenic Acid Methyl Ester
Accurate Mass
292.2402
Smiles
CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC
InChI
InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-
IUPAC
methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Methyl myristate
Accurate Mass
242.2246
Smiles
CCCCCCCCCCCCCC(=O)OC
InChI
InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3
IUPAC
methyl tetradecanoate
Methyl Palmitate
Accurate Mass
270.2559
Smiles
CCCCCCCCCCCCCCCC(=O)OC
InChI
InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3
IUPAC
methyl hexadecanoate
Methyl Palmitoleate
Accurate Mass
268.2402
Smiles
CCCCCC\C=C/CCCCCCCC(=O)OC
InChI
InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3/b9-8-
IUPAC
methyl (Z)-hexadec-9-enoate
Methyl Stearate
Accurate Mass
298.2872
Smiles
CCCCCCCCCCCCCCCCCC(=O)OC
InChI
InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3
IUPAC
methyl octadecanoate
Methyl-trans-vaccenate
Accurate Mass
296.2715
Smiles
CCCCCC\C=C\CCCCCCCCCC(=O)OC
InChI
InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h8-9H,3-7,10-18H2,1-2H3/b9-8+
IUPAC
methyl (E)-octadec-11-enoate
Myristoleic acid methyl ester
Accurate Mass
240.2089
Smiles
CCCC\C=C/CCCCCCCC(=O)OC
InChI
InChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h6-7H,3-5,8-14H2,1-2H3/b7-6-
IUPAC
methyl (Z)-tetradec-9-enoate
Nervonic acid methyl ester
Accurate Mass
380.3654
Smiles
CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC
InChI
InChI=1S/C25H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h10-11H,3-9,12-24H2,1-2H3/b11-10-
IUPAC
methyl (Z)-tetracos-15-enoate
Oleic Acid Methyl Ester
Accurate Mass
296.2715
Smiles
CCCCCCCC\C=C/CCCCCCCC(=O)OC
InChI
InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-
IUPAC
methyl (Z)-octadec-9-enoate
Tetracosanoic acid methyl ester
Accurate Mass
382.3811
Smiles
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
InChI
InChI=1S/C25H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h3-24H2,1-2H3
IUPAC
methyl tetracosanoate
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
UNITED STATES
Product Format
-
Matrix
-