1-Octadecanaminium, N,N,N-trimethyl-, chloride

Base Information

• Chemical Name: 1-Octadecanaminium, N,N,N-trimethyl-, chloride
• CAS No.: 112-03-8
• Deprecated CAS: 101203-69-4,11121-28-1,137261-63-3,204529-20-4,60976-70-7,62132-46-1,8028-21-5,80702-43-8,184921-65-1,2156618-92-5,11121-28-1,137261-63-3,184921-65-1,204529-20-4,60976-70-7,62132-46-1,8028-21-5
• Molecular Formula: C21H46N^.Cl
• Molecular Weight: 348.056
• Hs Code.: 2923.90
• European Community (EC) Number: 203-929-1
• UNII: CZ70647U92
• DSSTox Substance ID: DTXSID1026902
• Wikidata: Q27155573
• ChEMBL ID: CHEMBL118745
• Mol file: 112-03-8.mol

Synonyms:stearyltrimethylammonium;stearyltrimethylammonium 1-methylethylsulfate;stearyltrimethylammonium acetate;stearyltrimethylammonium bromide;stearyltrimethylammonium chloride;stearyltrimethylammonium dimethylphosphate;stearyltrimethylammonium iodide;stearyltrimethylammonium methylsulfate;stearyltrimethylammonium monomesylate;stearyltrimethylammonium mononitrate;stearyltrimethylammonium monoperchlorate;stearyltrimethylammonium octadecanoate;stearyltrimethylammonium tetrafluoroborate(1-);STMA-C

Chemical Property of 1-Octadecanaminium, N,N,N-trimethyl-, chloride

Chemical Property:

• Appearance/Colour: solid
• Vapor Pressure: 0Pa at 25℃
• Melting Point: 80°C
• Boiling Point: 100°C
• PSA: 0.00000
• Density: 0.6363 (g/ml)
• LogP: 3.95810
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Soluble in water 1.759 mg/L @ 25°C.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 17
• Exact Mass: 347.3318782
• Heavy Atom Count: 23
• Complexity: 204

Purity/Quality:

99% ^*data from raw suppliers

Trimethylstearylammonium chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-21/22
• Safety Statements: 26-36/37/39-37/39-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
• Uses: Emulsion (main components are high polymeric and cyclic silicones); forms a protective film to coat split ends; conditioning agent for rinses and shampoos; glazing agent for hair.

Technology Process of 1-Octadecanaminium, N,N,N-trimethyl-, chloride

There total 3 articles about 1-Octadecanaminium, N,N,N-trimethyl-, chloride 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:

methylene chloride (74-87-3) + N,N-dimethyl-n-octadecylamine (124-28-7) → trimethyloctadecylammonium chloride (112-03-8)

Guidance literature:

With Petroleum ether; at 60 ℃;

Reference yield:

1-aminooctadecane (124-30-1) → trimethyloctadecylammonium chloride (112-03-8)

Guidance literature:

Multi-step reaction with 2 steps

1: water; ethanol / 60 - 80 °C

2: petroleum ether / 60 °C

With ethanol; water; Petroleum ether;

Reference yield:

→ trimethyloctadecylammonium chloride (112-03-8)

Guidance literature:

upstream raw materials:

methylene chloride

N,N-dimethyl-n-octadecylamine

1-aminooctadecane

Downstream raw materials:

4-trimethylsilyl-phenyltriethoxysilane

silica gel

3-isopropylidene-6-methyl-hept-5-en-2-one

6-Methyl-3-isopropenyl-5-hepten-2-one

Refernces

• 1、 -. "Hair rinse composition". . . Retrieved 2008/06/13.