methyl (9E,11E)-octadeca-9,11-dienoate

Base Information

• Chemical Name: methyl (9E,11E)-octadeca-9,11-dienoate
• CAS No.: 13038-47-6
• Molecular Formula: C₁₉H₃₄O₂
• Molecular Weight: 294.478
• UNII: XA2QP8H2DS
• Nikkaji Number: J1.869.574J,J110.814J
• Mol file: 13038-47-6.mol

Synonyms:13038-47-6;methyl (9E,11E)-octadeca-9,11-dienoate;Methyl-9,11-octadecadienoate;(9E,11E)-9,11-Octadecadienoic acid methyl ester;XA2QP8H2DS;Methyl 9,11-octadecadienoate, (E,E)-;9,11-Octadecadienoic acid, methyl ester, (E,E)-;METHYL 9,11-OCTADECADIENOATE;methyl isolinoleate;Methyl ester of cla (9-cis,11-trans);UNII-XA2QP8H2DS;SCHEMBL1885955;KVIWYYOMPLJRMC-BNFZFUHLSA-N;Methyl 9(E),11(E)-Octadecadienoate;9,11-octadecadienoic acid methyl ester;Methyl trans,trans-9,11-octadecadienoate;Methyl trans-9,trans-11-octadecadienoate;PD077238;Methyl (9E,11E)-9,11-octadecadienoate #;9,11-Octadecadienoic acid, methyl ester, (9E,11E)-;9-TRANS-11-TRANS-OCTADECADIENOIC ACID METHYL ESTER

Chemical Property of methyl (9E,11E)-octadeca-9,11-dienoate

Chemical Property:

• Vapor Pressure: 6.26E-06mmHg at 25°C
• Boiling Point: 378.5°Cat760mmHg
• Flash Point: 100.2°C
• PSA: 26.30000
• Density: 0.884g/cm³
• LogP: 5.97290
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 294.255880323
• Heavy Atom Count: 21
• Complexity: 279

Purity/Quality:

99% ^*data from raw suppliers

9(E),11(E)-Conjugated Linoleic Acid methyl ester ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC=CC=CCCCCCCCC(=O)OC
• Isomeric SMILES: CCCCCC/C=C/C=C/CCCCCCCC(=O)OC

Technology Process of methyl (9E,11E)-octadeca-9,11-dienoate

There total 43 articles about methyl (9E,11E)-octadeca-9,11-dienoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 87.1%

Methyl linoleate (112-63-0) → (9Z,11E)-methyl octadeca-9,11-dienoate (822-10-6,13038-47-6,17675-24-0,19295-76-2,13058-52-1)

Guidance literature:

With ethanol; Tri(p-tolyl)phosphine; chloro(1,5-cyclooctadiene)rhodium(I) dimer; tin(ll) chloride; at 60 ℃; for 24h;

DOI:10.1021/jf0612124

Reference yield: 42.0%

methyl ricinoleate (141-24-2) → (9Z,11E)-methyl octadeca-9,11-dienoate (822-10-6,13038-47-6,17675-24-0,19295-76-2,13058-52-1) + octadeca-9,11-dienoic acid methyl ester (822-10-6,13058-52-1,17675-24-0,19295-76-2,13038-47-6) + (10E,12Z)-10,12-octadecadienoic acid methyl ester (1002-79-5,13038-48-7,13058-53-2,38433-72-6,21870-97-3) + (10E,12E)-10,12-Octadecadiensaeure-methylester (13038-48-7) + Methyl linoleate (112-63-0)

Guidance literature:

With 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate; potassium hydroxide; In ethylene glycol; at 180 ℃; for 0.5h; Microwave irradiation;

DOI:10.1039/c2gc35792e

Reference yield: 42.0%

methyl ricinoleate (141-24-2) → (9Z,11E)-methyl octadeca-9,11-dienoate (822-10-6,13038-47-6,17675-24-0,19295-76-2,13058-52-1) + octadeca-9,11-dienoic acid methyl ester (822-10-6,13058-52-1,17675-24-0,19295-76-2,13038-47-6) + (10E,12Z)-10,12-octadecadienoic acid methyl ester (1002-79-5,13038-48-7,13058-53-2,38433-72-6,21870-97-3) + (10E,12E)-10,12-Octadecadiensaeure-methylester (13038-48-7) + Methyl linoleate (112-63-0)

Guidance literature:

With 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate; potassium hydroxide; In ethylene glycol; at 180 ℃; for 0.5h; Microwave irradiation;

DOI:10.1039/c2gc35792e

upstream raw materials:

eleostearic acid

linoleic acid methyl ester

(E)-12-Methanesulfonyloxy-octadec-9-enoic acid methyl ester

methanol

Downstream raw materials:

deca-1,3-diene

oct-1-ene

methyl 9-decenoate

tetradec-7-ene