CAS No 121-54-0 , benzyl-dimethyl-[2-[2-[4-(2,4,
4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium

Title: Benzethonium Chloride
CAS Registry Number: 121-54-0
CAS Name: N,N-Dimethyl-N-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]benzenemethanaminium chloride
Synonyms: benzyldimethyl[2-[2-(p-1,1,3,3-tetramethylbutylphenoxy)ethoxy]ethyl]ammonium chloride; diisobutylphenoxyethoxyethyl dimethyl benzyl ammonium chloride
Trademarks: Hyamine 1622 (Rohm & Haas); Phemeride (Parke-Davis); Phemerol Chloride (Parke-Davis)
Molecular Formula: C27H42ClNO2
Molecular Weight: 448.08
Percent Composition: C 72.37%, H 9.45%, Cl 7.91%, N 3.13%, O 7.14%
Literature References: Quaternary ammonium salt with antimicrobial activity. Prepn: H. A. Bruson, US 2115250 (1938 to Rohm & Haas). Germicidal activity and toxicity data: P. Weiss et al., J. Am. Pharm. Assoc. Sci. Ed. 40, 267 (1951). HPLC determn in fish: T. B. A. Reuvers et al., J. Chromatogr. 467, 321 (1989). Use for determn of total protein in cerebrospinal fluid (CSF): R. W. Luxton et al., Clin. Chem. 35, 1731 (1989). Review of properties, commercial uses and toxicology studies: J. Am. Coll. Toxicol. 4, 65-106 (1985).
Properties: Odorless, colorless crystals with very bitter taste. mp 160-165°. Sol in water giving a foamy, soapy soln. Sol in alcohol, chloroform; slightly sol in ether. Incompatible with soap, anionic detergents. LD50 i.v. in mice: 29.5 mg/kg (Weiss).
Melting point: mp 160-165°
Toxicity data: LD50 i.v. in mice: 29.5 mg/kg (Weiss)
Use: In cosmetics as preservative; cationic surfactant. As disinfectant in dairies and food industries. Clinical reagent for determn of protein in CSF; pharmaceutic aid (preservative).
Therap-Cat: Antiseptic, disinfectant.
Therap-Cat-Vet: Antiseptic, disinfectant.
Keywords: Antiseptic/Disinfectant; Quaternary Ammonium Compounds.