Hexadecyl docosanoate

Base Information

• Chemical Name: Hexadecyl docosanoate
• CAS No.: 42233-11-4
• Molecular Formula: C38H76 O2
• Molecular Weight: 565.02
• Hs Code.: 2915900090
• European Community (EC) Number: 255-727-8
• UNII: WFM51TRO3E
• DSSTox Substance ID: DTXSID9068376
• Nikkaji Number: J278.365G
• Wikidata: Q27292612
• Metabolomics Workbench ID: 3701
• Mol file: 42233-11-4.mol

Synonyms:Hexadecyl docosanoate;Palmityl behenate;42233-11-4;cetyl behenate;Docosanoic acid, hexadecyl ester;hexadecanyl docosanoate;UNII-WFM51TRO3E;WFM51TRO3E;EINECS 255-727-8;BEHENIC ACID PALMITYL ESTER CRYSTALLINE;WE(16:0/22:0);Cetyl stearyl behenate;Behenic acid cetyl ester;CETYL BEHENATE [INCI];SCHEMBL148982;DTXSID9068376;LMFA07010056;Q27292612

Chemical Property of Hexadecyl docosanoate

Chemical Property:

• Vapor Pressure: 5.6E-13mmHg at 25°C
• Boiling Point: 569.4°C at 760 mmHg
• Flash Point: 310.1°C
• PSA: 26.30000
• Density: 0.857g/cm³
• LogP: 13.83280
• Storage Temp.: −20°C
• XLogP3: 18.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 36
• Exact Mass: 564.58453166
• Heavy Atom Count: 40
• Complexity: 460

Purity/Quality:

98%Min ^*data from raw suppliers

BEHENIC ACID PALMITYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Chemical Classes: Other Classes -> Esters, Other
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC

Technology Process of Hexadecyl docosanoate

There total 2 articles about Hexadecyl docosanoate 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: 95.0%

1-Hexadecanol (36653-82-4,124-29-8) + n-docosanoic acid (112-85-6) → palmityl behenate (42233-11-4)

Guidance literature:

With choline chloride; zinc(II) chloride; at 110 ℃; for 12h;

DOI:10.1016/j.tetlet.2007.07.159

Reference yield:

→ palmityl behenate (42233-11-4)

Guidance literature:

Hexadecylalkohol, Docosansaeure;

upstream raw materials:

1-Hexadecanol

n-docosanoic acid