CAS 122-18-9 Benzyldimethylhexadecylammonium chloride

Synonyms

Cetyl zephiran

IUPAC Name

Benzyl-hexadecyl-dimethylazanium;chloride

Molecular Weight

396.09

Molecular Formula

C25H46ClN

Canonical SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C25H46N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;/h17-19,21-22H,4-16,20,23-24H2,1-3H3;1H/q+1;/p-1

InChI Key

SXPWTBGAZSPLHA-UHFFFAOYSA-M

Melting Point

55-65 °C

Purity

99%

Appearance

White powder

Storage

Room Temperature

Assay

0.99

Complexity

291

Covalently-Bonded Unit Count

EC Number

204-526-3

Exact Mass

395.3318782

Formal Charge

H-Bond Acceptor

Heavy Atom Count

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]

MDL Number

MFCD00011625

Monoisotopic Mass

395.3318782

NSC Number

32942

Physical State

White to light yellow powder

Refractive Index

1.6

Rotatable Bond Count

Topological Polar Surface Area

0 Å²

UNII

85474O1N9D

Application

Benzyldimethylhexadecylammonium chloride, commonly known as Cetalkonium Chloride, serves multiple purposes due to its properties as a cationic quaternary ammonium surfactant. It is widely utilized as a germicide and fungicide, finding applications in both ophthalmic products and cosmetic formulations such as deodorants. In addition, this compound plays a crucial role in leather processing and textile dyeing, and it functions as an effective mildew preventive in silicone-based water repellents. Its compatibility with many nonionic detergents and effectiveness in moderately alkaline solutions further enhance its versatility. As a topical anti-infective, it offers an additional layer of utility in personal care products.

February 22, 2025

Effective and Versatile Research Surfactant

Benzyldimethylhexadecylammonium chloride proved invaluable in our textile dyeing project. Its compatibility with nonionic detergents and effectiveness in alkaline solutions enhanced our results significantly. Highly recommended for research applications requiring a reliable quaternary ammonium surfactant.