Cetyl betaine

Base Information

• Chemical Name: Cetyl betaine
• CAS No.: 693-33-4
• Molecular Formula: C20H41 N O2
• Molecular Weight: 327.551
• European Community (EC) Number: 211-748-4
• UNII: E945X08YA9
• DSSTox Substance ID: DTXSID8027298
• Wikidata: Q27277034
• RXCUI: 1306175
• Mol file: 693-33-4.mol

Synonyms:C16BET;hexadecylbetaine;N,N-dimethyl-N-hexadecylglycine

Chemical Property of Cetyl betaine

Chemical Property:

• Vapor Pressure: 13.197hPa at 21.1℃
• Refractive Index: 1.5614 (estimate)
• Boiling Point: 465.41°C (rough estimate)
• PSA: 49.36000
• Density: 0.9732 (rough estimate)
• LogP: 5.54030
• Water Solubility.: 444.8g/L at 25℃
• XLogP3: 8.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 327.313729551
• Heavy Atom Count: 23
• Complexity: 271

Purity/Quality:

99.9% ^*data from raw suppliers

HEXADECYLBETAINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)CC(=O)[O-]
• Uses: Lonzaine(R) 16SP is a mild, high foaming, biodegradable cetyl betaine. Suggested applications: foam stabilizer, thickener for shampoos.

Technology Process of Cetyl betaine

There total 4 articles about Cetyl betaine 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,N-dimethylhexadecylamine (112-69-6) + sodium monochloroacetic acid (3926-62-3) → (N-hexadecyl-N,N-dimethylammonio)acetate (693-33-4)

Guidance literature:

With ethanol; at 100 ℃;

Reference yield:

carboxymethyl-hexadecyl-dimethyl-ammonium; bromide (5466-51-3) → (N-hexadecyl-N,N-dimethylammonio)acetate (693-33-4)

Guidance literature:

With silver carbonate;

DOI:10.1021/jo50015a004

Reference yield:

hexadecanyl bromide (112-82-3) → (N-hexadecyl-N,N-dimethylammonio)acetate (693-33-4)

Guidance literature:

Multi-step reaction with 2 steps

2: aq. ethanol / Heating

In ethanol;

upstream raw materials:

N,N-dimethylhexadecylamine

sodium monochloroacetic acid

carboxymethyl-hexadecyl-dimethyl-ammonium; bromide

methyl N-hexadecyl-N,N-dimethylglycinate chloride

Refernces

• 1、 Al-Lohedan, Hamad,Bunton, Clifford A.,Romsted, Laurence S.. "Micellar Effects upon the Reaction of Betaine Esters with Hydroxide Ion". . p. 2123 - 2129. Retrieved 2007/10/02.