Ethyl erucate

Base Information

• Chemical Name: Ethyl erucate
• CAS No.: 37910-77-3
• Molecular Formula: C24H46O2
• Molecular Weight: 366.628
• Hs Code.: 2916190090
• European Community (EC) Number: 253-712-0
• UNII: O5A8YB1V2I
• DSSTox Substance ID: DTXSID801317743
• Nikkaji Number: J151.213G
• Wikidata: Q27158156
• Mol file: 37910-77-3.mol

Synonyms:Ethyl erucate;Erucic acid ethyl ester;37910-77-3;Ethyl (Z)-docos-13-enoate;ethyl docos-13-enoate;UNII-O5A8YB1V2I;O5A8YB1V2I;EINECS 253-712-0;13-Docosenoic acid, ethyl ester, (13Z)-;6045-37-0;cis-13-Docosenoic acid ethyl ester;ethyl (13Z)-docosenoate;MFCD00027405;ethyldocos-13-enoate;Ethyl cis-13-Docosenoate;SCHEMBL1109942;ethyl (13Z)-docos-13-enoate;CHEBI:84891;13-Docosenoic acid, ethyl ester;WFZQLUSOXHIVKL-QXMHVHEDSA-N;cis-13-Docosenoic Acidethyl ester;DTXSID801317743;Ethyl (13Z)-13-docosenoate #;Ethyl 13-docosenoate(ethyl erucate);AKOS015839765;HY-W099644;13-Docosenoic acid, ethyl ester, (Z)-;CS-0152286;D1014;Ethyl erucate, ~99% (capillary GC), liquid;Q27158156

Chemical Property of Ethyl erucate

Chemical Property:

• Vapor Pressure: 7.88E-08mmHg at 25°C
• Melting Point: 34 °C
• Refractive Index: 1.4530-1.4570
• Boiling Point: 233 °C / 8.5mmHg
• Flash Point: 82.9°C
• PSA: 26.30000
• Density: 0.87
• LogP: 8.14740
• Storage Temp.: −20°C
• XLogP3: 10.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 21
• Exact Mass: 366.349780706
• Heavy Atom Count: 26
• Complexity: 309

Purity/Quality:

99.9% ^*data from raw suppliers

Erucic Acid Ethyl Ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCCCCCC(=O)OCC
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC
• Uses: Erucic Acid Ethyl Ester is the ethyl ester of Erucic acid (E649900) which is a long-chain alcohol that acts as an inhibitor of fatty acid oxidation in the heart. Erucic acid originates in rapeseed plants, and is the major fatty acid constituent of rapeseed plant oil extracts and canola oil.

Technology Process of Ethyl erucate

There total 5 articles about Ethyl erucate 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:

ethanol (64-17-5) + cis-13-docosenoic acid (112-86-7) → ethyl (13Z)-13-docosenoate (37910-77-3)

Guidance literature:

With sulfuric acid; Reflux;

Reference yield:

ethanol (64-17-5) → ethyl (13Z)-13-docosenoate (37910-77-3)

Guidance literature:

With sulfuric acid;

Reference yield:

docos-13-enoic acid-anhydride (871893-44-6) → cis-13-docosenoic acid (112-86-7) + ethyl (13Z)-13-docosenoate (37910-77-3)

Guidance literature:

erucic acid anhydride;

upstream raw materials:

pyridine

ethanol

docos-13-enoic acid-anhydride

cis-13-docosenoic acid

Downstream raw materials:

ethyl docosanoate

Nervonic acid

methyl cis-tetracos-15-enate

erucyl alcohol

Refernces