2-(Dodecyldimethylammonio)acetate

Base Information

• Chemical Name: 2-(Dodecyldimethylammonio)acetate
• CAS No.: 683-10-3
• Deprecated CAS: 103171-41-1,128885-05-2,131131-70-9,25251-14-3,39033-74-4,89045-97-6,147827-14-3,607690-41-5,1210261-09-8,206451-98-1,648426-88-4,131131-70-9,89045-97-6,607690-41-5,206451-98-1,147827-14-3,39033-74-4,648426-88-4,1210261-09-8,128885-05-2
• Molecular Formula: C16H33NO2
• Molecular Weight: 271.444
• Hs Code.: 2923.90
• European Community (EC) Number: 211-669-5,288-457-4
• UNII: Y4P927Q133
• ChEMBL ID: CHEMBL1232088
• DSSTox Substance ID: DTXSID6041266,DTXSID101020488
• Metabolomics Workbench ID: 150799
• RXCUI: 1314211
• Wikidata: Q27096852
• Mol file: 683-10-3.mol

Synonyms:laurylbetain;lauryldimethyl betaine;lauryldimethylbetaine;sodium dodecyldimethylbetaine

Chemical Property of 2-(Dodecyldimethylammonio)acetate

Chemical Property:

• Appearance/Colour: Light yellow clear liquid
• Vapor Pressure: 16.796hPa at 21.1℃
• Refractive Index: 1.4545 (estimate)
• Boiling Point: 414.52°C (rough estimate)
• PSA: 40.13000
• Density: 1.04 g/mL at 20 °C
• LogP: 2.73360
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 464g/L at 25℃
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 271.251129295
• Heavy Atom Count: 19
• Complexity: 221

Purity/Quality:

99% ^*data from raw suppliers

LaurylBetaine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 36/37/38-25-21
• Safety Statements: 26-36-45-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-]
• Uses: Lauryl Betaine is an amphoteric surfactant derived from N-dodecyl-N,N-dialkanol amine with protein denaturing potency. Lauryl Betaine is mainly used in shampoo, personal hygiene products and oil field chemicals. lauryl betaine is a skin-conditioning agent. In hair care, it is used as an anti-static conditioning agent and a foam booster.

Technology Process of 2-(Dodecyldimethylammonio)acetate

There total 16 articles about 2-(Dodecyldimethylammonio)acetate 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: 99.0%

1-dodecyl alcohol (112-53-8) + N,N-dimethylglycine methyl ester (7148-06-3) → carboxymethyl-dodecyl-dimethyl-ammonium betaine (683-10-3)

Guidance literature:

With Novovzym 435; In n-heptane; at 65 ℃; for 5h; Dean-Stark; Green chemistry;

Reference yield: 96.0%

N,N-dimethylaminododecane (112-18-5,83855-86-1) + potassium chloroacetate (7748-25-6) → carboxymethyl-dodecyl-dimethyl-ammonium betaine (683-10-3)

Guidance literature:

In acetonitrile; at 80 ℃; for 2h;

DOI:10.1016/j.tet.2016.09.007

Reference yield: 90.5%

dodecyl(2-ethoxy-2-oxoethyl)dimethylazanium p-toluenesulfonate → carboxymethyl-dodecyl-dimethyl-ammonium betaine (683-10-3)

Guidance literature:

With toluene-4-sulfonic acid; In water; at 45 - 55 ℃; for 24h; Time;

upstream raw materials:

N,N-dimethylaminododecane

sodium monochloroacetic acid

chloroacetic acid ethyl ester

methyl N-dodecyl-N,N-dimethylglycinate chloride

Downstream raw materials:

N-dodecylbetainium chloride

Refernces

• 1、 Czerniak, Kamil,Biedziak, Agnieszka,Krawczyk, Krzysztof,Pernak, Juliusz. "Synthesis and properties of gallate ionic liquids". . p. 7409 - 7476. Retrieved 2016.
• 2、 -. "AMPHOTERIC BETAINE COMPOUNDS". Paragraph 0170-0173. . Retrieved 2017/04/11.
• 3、 -. "Gel emulsifier midbody N - dodecyl betaine apparatus for producing". Paragraph 0013; 0014; 0015; 0016; 0017; 0018. . Retrieved 2017/01/12.