Behentrimonium methosulfate

Base Information

• Chemical Name: Behentrimonium methosulfate
• CAS No.: 81646-13-1
• Molecular Formula: C26H57NO4S
• Molecular Weight: 479.809
• European Community (EC) Number: 279-791-1
• UNII: 5SHP745C61
• DSSTox Substance ID: DTXSID00231231
• Wikidata: Q27262812
• RXCUI: 1314333
• Mol file: 81646-13-1.mol

Synonyms:Behentrimonium methosulfate;81646-13-1;Docosyltrimethylammonium methyl sulphate;docosyl(trimethyl)azanium;methyl sulfate;UNII-5SHP745C61;5SHP745C61;EINECS 279-791-1;Behenyl trimethyl ammonium methosulfate;EC 279-791-1;docosyl(trimethyl)azanium,methyl sulfate;SCHEMBL126381;C25H54N.CH3O4S;DTXSID00231231;BEHENTRIMONIUM METHOSULPHATE;behenyltrimethylammonium methylsulfate;behenyltrimethylammonium methyl sulfate;C25-H54-N.C-H3-O4-S;BEHENTRIMONIUM METHOSULFATE [INCI];N,N,N-Trimethyl-1-docosanaminium methosulfate;BEHENYL TRIMETHYL AMMONIUM METHOSULPHATE;1-Docosanaminium, N,N,N-trimethyl-, methosulfate;1-Docosanaminium, N,N,N-trimethyl-, methyl sulfate;Q27262812

Chemical Property of Behentrimonium methosulfate

Chemical Property:

• PSA: 74.81000
• Density: 0.92[at 20℃]
• LogP: 8.68830
• Solubility.: 7.2g/L in organic solvents at 20 ℃
• Water Solubility.: 7mg/L at 25℃
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 21
• Exact Mass: 479.40083047
• Heavy Atom Count: 32
• Complexity: 344

Purity/Quality:

85% ^*data from raw suppliers

DOCOSYL TRIMETHYL AMMONIUM METHYL SULFATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-]
• Description: From the middle of the 20th century, docosyltrimethylammonium methyl sulphate started to be the perfect ingredient of shampoos and hair conditioning products since it can moisturize and condition hair to the roots. It penetrates up to the hair shaft making hair healthier and thus easy to comb and maintain. Other chemical additives may have the same property as BTMS but are not as mild as well. In another side, BTMS does not coat the scalp and leave excess chemical build up on the surface of the scalp but penetrates hair up to the roots.

Technology Process of Behentrimonium methosulfate

There total 3 articles about Behentrimonium methosulfate 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-Bromodocosane (6938-66-5) → docosyl-trimethyl-ammonium; methyl sulfate (81646-13-1)

Guidance literature:

Multi-step reaction with 2 steps

2: chloroform

With chloroform;

Reference yield:

N,N-dimethyldocosylamine (21542-96-1) + dimethyl sulfate (77-78-1) → docosyl-trimethyl-ammonium; methyl sulfate (81646-13-1)

Guidance literature:

With chloroform;

Reference yield:

→ docosyl-trimethyl-ammonium; methyl sulfate (81646-13-1)

Guidance literature:

upstream raw materials:

N,N-dimethyldocosylamine

dimethyl sulfate

1-Bromodocosane

Downstream raw materials:

1-docosene

Refernces