Hexadecyl trimethyl ammonium chloride
[CAS# 112-02-7]

Identification

• Classification: Surfactant >> Cationic surfactant >> Quaternary ammonium salt type
• Name: Hexadecyl trimethyl ammonium chloride
• Synonyms: Hexadecyltrimethylammonium chloride; C16-alkyltrimethylammonium chloride; Cetrimonium chloride; Cetyltrimethylammonium Chloride; Cetyl trimethyl ammonium chlride; N-Hexadecyltrimethylammonium chloride; Adogen 444; Aliquat 6
• Molecular Formula: C₁₉H₄₂N^.Cl
• Molecular Weight: 320.00
• CAS Registry Number: 112-02-7
• EC Number: 203-928-6
• SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]

Properties

• Melting point: 232-234 ºC
• Water solubility: Soluble

Safety Data

• Hazard Symbols: GHS05;GHS06;GHS07;GHS09 Danger
• Hazard Statements: H302-H311-H314-H315-H318-H335-H400-H410
• Precautionary Statements: P260-P261-P262-P264-P264+P265-P270-P271-P273-P280-P301+P317-P301+P330+P331-P302+P352-P302+P361+P354-P304+P340-P305+P354+P338-P316-P317-P319-P321-P330-P332+P317-P361+P364-P362+P364-P363-P391-P403+P233-P405-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Acute hazardous to the aquatic environment	Aquatic Acute	1	H400
Serious eye damage	Eye Dam.	1	H318
Skin irritation	Skin Irrit.	2	H315
Specific target organ toxicity - single exposure	STOT SE	3	H335
Acute toxicity	Acute Tox.	4	H302
Chronic hazardous to the aquatic environment	Aquatic Chronic	1	H410
Skin corrosion	Skin Corr.	1C	H314
Acute toxicity	Acute Tox.	3	H311
Skin corrosion	Skin Corr.	1B	H314
Acute toxicity	Acute Tox.	3	H301
Acute toxicity	Acute Tox.	4	H312
Eye irritation	Eye Irrit.	2	H319
Chronic hazardous to the aquatic environment	Aquatic Chronic	3	H412
Skin corrosion	Skin Corr.	1A	H314

• Transport Information: UN 3077

Discovory and Applicatios

Cetyltrimethylammonium chloride, commonly known as CTAC, is a quaternary ammonium compound. It was discovered in the early 20th century during the exploration of surfactants and their potential applications in various industries. The compound is characterized by its long hydrophobic hexadecyl chain (16 carbons) attached to a positively charged nitrogen atom that has three methyl groups and a chloride anion that balances the charge.

Cetyltrimethylammonium chloride (C19H42ClN) is a white crystalline powder that is highly soluble in water. It is a cationic surfactant, which means it has a positive charge on the nitrogen atom that interacts with water molecules, while the long hydrocarbon chain repels water. This amphiphilic nature enables it to reduce surface tension and form micelles, making it an effective detergent and emulsifier.

The main use of cetyltrimethylammonium chloride is in detergents and cleaning products. It is often used in household cleaning products due to its ability to dissolve oil and dirt, making surfaces easier to clean. In industrial applications, CTAC is used in formulations for cleaning machinery, floors, and equipment.

Cetyltrimethylammonium chloride is widely used in the cosmetics industry. Its ability to form stable emulsions makes it a key ingredient in conditioners and shampoos to provide smooth properties and a sleek texture to hair. It is also used in creams and lotions to ensure an even and smooth application on the skin.

In the textile industry, CTAC is used as a fabric softener to help soften fabrics and reduce static cling, making fabrics softer to the touch. This application takes advantage of its cationic nature, which interacts with the negatively charged fibers of fabrics.

Cetyltrimethylammonium chloride has bactericidal properties. It is used in disinfectants and sanitizing solutions because it is effective against a wide range of microorganisms, including bacteria and viruses, and is valuable in healthcare, food processing, and public health.

In chemical synthesis, CTAC is used as a phase transfer catalyst. It facilitates the transfer of reactants between aqueous and organic phases, increasing the efficiency of reactions that would otherwise be difficult to carry out due to the immiscibility of the solvents involved. This application is critical in various organic synthesis processes.

Cetyltrimethylammonium chloride is used in analytical chemistry for sample preparation and analysis, particularly in techniques such as liquid chromatography, to improve the separation and resolution of analytes.

While cetyltrimethylammonium chloride is effective in a variety of applications, it must be handled with care. It can cause skin and eye irritation and can be harmful if ingested or inhaled. Proper personal protective equipment (PPE), including gloves, goggles, and adequate ventilation are essential when working with this chemical. Additionally, it should be stored in a cool, dry place away from incompatible materials.

CTAC can pose an environmental risk if not properly managed. It is important to control its release to the environment through proper containment, handling, and disposal methods. Regulatory measures should ensure that the environmental impact of cetyltrimethylammonium chloride is minimized and that proper disposal methods are followed to prevent contamination of water supplies.

References

2005. Validation of a screening method for the simultaneous identification of fat-soluble and water-soluble vitamins (A, E, B1, B2 and B6) in an aqueous micellar medium of hexadecyltrimethylammonium chloride. Analytical and Bioanalytical Chemistry.
DOI: 10.1007/s00216-005-3137-0

2005. Treating chemical mechanical polishing (CMP) wastewater by electro-coagulation-flotation process with surfactant. Journal of Hazardous Materials.
DOI: 10.1016/j.jhazmat.2004.12.038

2007. Chromate transport through columns packed with surfactant-modified zeolite/zero valent iron pellets. Chemosphere.
DOI: 10.1016/j.chemosphere.2007.03.011