N-Hexadecyltrimethylammonium chloride

Base Information

• Chemical Name: N-Hexadecyltrimethylammonium chloride
• CAS No.: 112-02-7
• Deprecated CAS: 139272-33-6,146909-27-5,53023-95-3,79728-63-5,217468-43-4,129290-73-9,2124222-94-0,146909-27-5,217468-43-4,53023-95-3,79728-63-5
• Molecular Formula: C19H42N^.Cl
• Molecular Weight: 320.002
• Hs Code.: 2923.90
• European Community (EC) Number: 203-928-6,268-077-5,689-804-6
• UN Number: 3082
• UNII: UC9PE95IBP
• DSSTox Substance ID: DTXSID6026901
• Wikipedia: Cetrimonium_chloride
• Wikidata: Q1061007
• NCI Thesaurus Code: C83614
• RXCUI: 1311525
• ChEMBL ID: CHEMBL1895807
• Mol file: 112-02-7.mol

Synonyms:Arquad 16-26;Arquad 16-29;Arquad 16-29W;Arquad 16-50;BP 40;Barquat CT 29;C 16TAC;CA 2350;CETAC;CTAC;CTAC 1;CTAC30KC;CTACL;Carsoquat CT 425;Carsoquat CT 429;Catinal CTC 70ET;Catiogen TMP;Cation PB 40;Cationic 1631;Cetac 30;Cetrimonium chloride;Cetyltrimethylammonium chloride;D 1631;Dehyquart A;Dehyquart A-CA;DehyquartA-CE;Dodigen 1383;FSM 28;Genamin CTAC;Genamin CTAC 50;Genamin CTAC 50ET;HDTMA-Cl;HTAC;Incroquat CTC 30;Intexan CTC 29;Intexsan CTC 29;Intexsan CTC50;Lebon TM 16;Lebon TM 60;Morpan CHA;N,N,N-Trimethyl-1-hexadecanaminiumchloride;Nissan Cation PB 40;PB 40;Palmityltrimethylammonium chloride;Pionin B 611;Protaquat CT 29;

Chemical Property of N-Hexadecyltrimethylammonium chloride

Chemical Property:

• Appearance/Colour: White or yellowish paste or solid
• Vapor Pressure: 0.006Pa at 25℃
• Melting Point: 232-234 °C
• Refractive Index: n20/D 1.3778
• Boiling Point: 100oC
• PSA: 0.00000
• Density: 0.968 g/mL at 25 °C
• LogP: 3.17790
• Storage Temp.: -196°C
• Water Solubility.: Soluble
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 15
• Exact Mass: 319.3005780
• Heavy Atom Count: 21
• Complexity: 181
• Transport DOT Label: Class 9

Purity/Quality:

26%;30%;40%;50%;70% ^*data from raw suppliers

Cetyltrimethylammonium Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,N,Xn
• Hazard Codes: Xi,N,Xn
• Statements: 38-41-50-50/53-37/38-22-43-36/37/38
• Safety Statements: 26-39-60-61-37/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Quaternary Amines
• Canonical SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
• Uses: Barquat(R) CT-29 is a quaternary ammonium based surfactant that finds uses in broad number of industrial cleaning products. Product Data Sheet Carsoquat(R) 450I is used in hair care formulations, as hair conditioner, cream rinse ingredient.. Carsoquat(R) CT-425 is used in hair care formulations, as hair conditioner, cream rinse ingredient.. Carsoquat(R) CT-429 is used in hair care formulations, as hair conditioner, cream rinse ingredient.. cetrimonium chloride can be incorporated into a cosmetic preparation for any number of formulatory needs including as an anti-static, an emulsifier, and a surfactant. It can also be used as a preservative and anti-microbial against the proliferation of bacteria, fungi, and yeast.

Technology Process of N-Hexadecyltrimethylammonium chloride

There total 4 articles about N-Hexadecyltrimethylammonium 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-dimethylhexadecylamine (112-69-6) → cetyltrimethylammonium chloride (112-02-7,79728-63-5)

Guidance literature:

With Petroleum ether; at 80 ℃;

Reference yield:

1-Chlorohexadecan (4860-03-1) + trimethylamine (75-50-3) → cetyltrimethylammonium chloride (112-02-7,79728-63-5)

Guidance literature:

With ethanol; at 100 - 105 ℃;

DOI:10.1021/j150411a009

Reference yield:

hexadecylamine (143-27-1) → cetyltrimethylammonium chloride (112-02-7,79728-63-5)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous ethanol

2: petroleum ether / 80 °C

With ethanol; Petroleum ether;

upstream raw materials:

methylene chloride

N,N-dimethylhexadecylamine

1-Chlorohexadecan

trimethylamine

Downstream raw materials:

3-benzyloxy-2-(2,2-dimethoxyethoxy)propyl octadecyl ether

1,1-bis(4-chlorophenyl)-2,2-dichloroethylene

methylene chloride

2-naphthalenesulfonate

Refernces

• 1、 Hauser,Niles. "-". . p. 954,958. Retrieved 1941.
• 2、 -. "FUNGICIDAL PENFLUFEN MIXTURES". . . Retrieved 2014/04/03.
• 3、 -. "DENTAL ORAL COMPOSITION". . . Retrieved 2010/11/03.