Trierucin

Base Information

• Chemical Name: Trierucin
• CAS No.: 2752-99-0
• Molecular Formula: C69H128 O6
• Molecular Weight: 1053.77
• Hs Code.: 2916190090
• European Community (EC) Number: 220-399-7
• UNII: I0IDQ0M20R
• DSSTox Substance ID: DTXSID401021942
• Nikkaji Number: J299.210H
• Wikidata: Q15726025
• Metabolomics Workbench ID: 8793
• ChEMBL ID: CHEMBL4297655
• Mol file: 2752-99-0.mol

Synonyms:erucic acid triglyceride;glycerol trierucate;trierucate;trierucin

Chemical Property of Trierucin

Chemical Property:

• Vapor Pressure: 6E-34mmHg at 25°C
• Boiling Point: 909.6°Cat760mmHg
• Flash Point: 321.8°C
• PSA: 78.90000
• Density: 0.909g/cm³
• LogP: 22.77830
• Storage Temp.: −20°C
• XLogP3: 28.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 65
• Exact Mass: 1052.97109180
• Heavy Atom Count: 75
• Complexity: 1190

Purity/Quality:

99%, ^*data from raw suppliers

Trierucin ^*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(COC(=O)CCCCCCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCCCCCC=CCCCCCCCC
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
• Recent ClinicalTrials: Randomized Study of Beta Interferon and Thalidomide in Patients With Adrenoleukodystrophy
• Uses: Trierucin is a triglyceride found in partially hydrogenated vegetable and marine oils.

Technology Process of Trierucin

There total 7 articles about Trierucin 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:

→ 1,2,3-tris(cis-13-docosenoyl)glycerol (2752-99-0)

Guidance literature:

(Z)-13-Docosensaeure, Glycerin, p-TsOH;

DOI:10.1016/0009-3084(78)90066-X

Reference yield:

→ 1,2,3-tris-docos-13-enoyloxy-propane (2752-99-0,37635-44-2)

Guidance literature:

With cis-nitrous acid; tribrassidinate of glycerol;

Reference yield:

→ 1,2,3-tris-docos-13-enoyloxy-propane (2752-99-0,37635-44-2)

Guidance literature:

With nitric acid; sodium nitrite; tribrassidinate of glycerol; waescht man nach 24 Stunden die Masse mit heissem Wasser und krystallisiert aus Aether um;

upstream raw materials:

Brassidic acid

cis-13-docosenoic acid

1-monoerucin