Tribehenin

Base Information

• Chemical Name: Tribehenin
• CAS No.: 18641-57-1
• Molecular Formula: C69H134O6
• Molecular Weight: 1059.82
• Hs Code.: 2915900000
• European Community (EC) Number: 242-471-7
• UNII: 8OC9U7TQZ0
• DSSTox Substance ID: DTXSID40171900
• Nikkaji Number: J108.544A
• Wikidata: Q27270813
• NCI Thesaurus Code: C78765
• RXCUI: 1426386
• Metabolomics Workbench ID: 8693
• ChEMBL ID: CHEMBL2104418
• Mol file: 18641-57-1.mol

Synonyms:ATO 888;Compritol 888;Compritol ATO 888;glyceryl behenate

Chemical Property of Tribehenin

Chemical Property:

• Vapor Pressure: 3.91E-34mmHg at 25°C
• Melting Point: 83 °C
• Refractive Index: 1.467
• Boiling Point: 911.8 °C at 760 mmHg
• Flash Point: 321.6 °C
• PSA: 78.90000
• Density: 0.899 g/cm³
• LogP: 23.45030
• Storage Temp.: −20°C
• XLogP3: 31.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 68
• Exact Mass: 1059.01804199
• Heavy Atom Count: 75
• Complexity: 1070

Purity/Quality:

GlycerylBehenate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC
• Uses: tribehenin is also known as glyceryl tribehenate. It is an emollient and skin conditioner. glyceryl tribehenate is also known as tribehenin. Glyceryl Behenate is a fat used in emulsification in the preparation of oral pharmaceutical formulations.

Technology Process of Tribehenin

There total 2 articles about Tribehenin 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:

n-docosanoic acid (112-85-6) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → tribehenin (18641-57-1)

Guidance literature:

at 250 ℃; for 15h; Inert atmosphere;

Reference yield:

→ tribehenin (18641-57-1)

Guidance literature:

With nickel kieselguhr; hydrogen; at 180 ℃;

Reference yield:

triacetylglycerol (102-76-1) + tribehenin (18641-57-1) → glyceryl 1,3-dibehenate (94201-62-4)

Guidance literature:

With sodium methylate; xylene; und Erwaermen des Reaktionsgemisches mit Glycerin;

DOI:10.1021/ja01152a109

upstream raw materials:

n-docosanoic acid

glycerol

Downstream raw materials:

glyceryl 1,3-dibehenate

Refernces