Cetyltrimethylammonium chloride solution(HTAC) - 25wt. % in H2O , CAS No.112-02-7

CAS: 112-02-7 Cat. No.: C466513 Formula: C₁₉H₄₂ClN Molecular Weight: 320 Beilstein Registry Number: 3657974 EC Number: 203-928-6

GRADE & PURITY 25wt. % in H2O

Synonyms

CETRIMONIUM CHLORIDE [MART.]|cetyltrimethyl ammonium chloride|Dehyquart A-CA|Palmityltrimethylammonium chloride|1-Hexadecanaminium, N,N,N-trimethyl-, chloride (1:1)|FSM 28|N,N,N-trimethylhexadecan-1-aminium chloride|CETRIMONIUM CHLORIDE [II]|Arquad 16|Cetyl trimethyl ammonium chloride|PB 40|Trimethyl-1-hexadecanaminium chloride|Hexadecyltrimethylammonium chloride|hexadecyltrimethyl ammonium chloride|Surfaktivo (TN)|cetyl trimethylammonium chloride|Ammonium, hexadecyltrimethyl-, chloride|Nissan Cation PB 40|Quartamin 60W|Aliquat 6|Arquad 16-25W|Lebon TM 16|Arquad 16/28|CETRIMONIUM CHLORIDE [INCI]|JEEQUAT CT-29|(1-Hexadecyl)trimethylammonium chloride|Cation PB 40|Dodigen 1383|Cetrimonium chloride|Arquad 16-26|Carsoquat CT 429|Surfroyal CTAC|Lebon TM 60|CETRIMONIUM CHLORIDE [WHO-DD]|Intexsan CTC 29|CETAC|NIKKOL CA-2350|Pionin B 611|Arquad 16-25LO|Barquat CT 29|cetyl(trimethyl)ammonium chloride|Cetrimonium chloride (BAN)|hexadecyl(trimethyl)ammonium chloride|Quatramine C 16/29|Arquad 16-50|Adogen 444|Cetyltrimethylammonium chloride|cetyltrimethyl-ammonium chloride|Morpan CHA|tetrahydro-4-methyl-2-(2-methyl-1-propen-1-yl)-|HTAC|Variquat E 228|Arquad 16-29W|Hexadecyl trimethyl ammonium chloride|Intexan CTC 29|CTAC|N,N,N-trimethylhexadecan-1-aminiumchloride|Trimethylcetylammonium chloride|N,N,N-Trimethyl-1-hexadecanaminium chloride|Arquad 16-29|ARQUAD PC 16-29W|Catinal CTC 70ET|Dehyquart A|HDTMA-Cl|Ammonyx Cetac 30|TRIMETHYLHEXADECYLAMMONIUM CHLORIDE [HSDB]|1-Hexadecanaminium, N,N,N-trimethyl-, chloride|N-Hexadecyltrimethylammonium chloride

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Description

Cetyltrimethylammonium chloride (CTAC) is a cationic surfactant that can be used in the synthesis of mesoporous molecular sieves and micelle complexes. It can also be used as a dispersant to prevent aggregation of nanoparticles.

Specifications

Synonyms

CETRIMONIUM CHLORIDE [MART.] | cetyltrimethyl ammonium chloride | Dehyquart A-CA | Palmityltrimethylammonium chloride | 1-Hexadecanaminium, N,N,N-trimethyl-, chloride (1:1) | FSM 28 | N,N,N-trimethylhexadecan-1-aminium chloride | CETRIMONIUM CHLORIDE [II] | Arquad 16 | Cetyl trimethyl ammonium chloride | PB 40 | Trimethyl-1-hexadecanamini Show more

Specifications & Purity

25wt. % in H2O

Storage

Room temperature,Argon charged

Shipped In

Normal

Names and Identifiers

Pubchem Sid

528770261

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528770261

Canonical Smiles

CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]

IUPAC Name

hexadecyl(trimethyl)azanium;chloride

InChIKey

WOWHHFRSBJGXCM-UHFFFAOYSA-M

INCHI

1S/C19H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]

WGK Germany

3

RTECS

ML9145000

UN Number

3082

Packing Group

III

Molecular Weight

320

Beilstein

3657974

Reaxy-Rn

3657974

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3657974&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.
• External Descriptors: organic chloride salt - quaternary ammonium salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Refractive Index: n20/D 1.3778
• Melt Point(°C): 232-234°C
• Molecular Weight: 320.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 15
• Exact Mass: 319.301 Da
• Monoisotopic Mass: 319.301 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 181.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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