Triethylhexadecylammonium chloride

Base Information

• Chemical Name: Triethylhexadecylammonium chloride
• CAS No.: 13287-79-1
• Molecular Formula: C22H48 N . Cl
• Molecular Weight: 362.083
• Hs Code.: 2923900090
• European Community (EC) Number: 236-300-5
• DSSTox Substance ID: DTXSID00927849
• Mol file: 13287-79-1.mol

Synonyms:Triethylhexadecylammonium chloride;13287-79-1;Cetyltriethylammonium chloride;Barguat CT 429;triethyl(hexadecyl)azanium;chloride;EINECS 236-300-5;1-Hexadecanaminium, N,N,N-triethyl-, chloride;n,n,n-triethylhexadecan-1-aminium chloride;SCHEMBL1024140;DTXSID00927849

Chemical Property of Triethylhexadecylammonium chloride

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: g/cm³
• LogP: 4.34820
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 18
• Exact Mass: 361.3475282
• Heavy Atom Count: 24
• Complexity: 212

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC[N+](CC)(CC)CC.[Cl-]

Technology Process of Triethylhexadecylammonium chloride

There total 3 articles about Triethylhexadecylammonium 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:

1-Chlorohexadecan (4860-03-1) + triethylamine (121-44-8) → triethylhexadecylammonium chloride (13287-79-1)

Guidance literature:

With water; at 150 ℃;

Reference yield:

1-Hexadecanol (36653-82-4,124-29-8) → triethylhexadecylammonium chloride (13287-79-1)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine; trichlorophosphate / dichloromethane / 1 h / 0 °C

2: 2-(Diethylamino)ethanol / 3 h / 0 - 20 °C

With triethylamine; 2-(Diethylamino)ethanol; trichlorophosphate; In dichloromethane;

DOI:10.1055/s-0030-1260939

Reference yield:

triethylamine (121-44-8) + hexadecyl dichlorophosphinate (58527-29-0) → triethylhexadecylammonium chloride (13287-79-1)

Guidance literature:

With 2-(Diethylamino)ethanol; at 0 - 20 ℃; for 3h;

DOI:10.1055/s-0030-1260939

upstream raw materials:

1-Chlorohexadecan

triethylamine

1-Hexadecanol

hexadecyl dichlorophosphinate

Downstream raw materials:

methylene chloride

2-naphthalenesulfonate

Refernces

• 1、 Narender, Tadigoppula,Madhur, Gaurav,Dharamsheela,Reddy, K. Papi,Sarkar,Sarkar,Tripathi. "One-pot synthesis of cationic amphiphiles from n-alcohols and allyl alcohols". . p. 1687 - 1692. Retrieved 2011/09/14.