53751

Benzethonium chloride

BioUltra, ≥99.0% (AT)

• Synonym(s): (Diisobutylphenoxyethoxyethyl)dimethylbenzylammonium chloride, Phemerol chloride
• Empirical Formula (Hill Notation): C₂₇H₄₂ClNO₂
• CAS Number: 121-54-0
• Molecular Weight: 448.08
• UNSPSC Code: 12161900
• NACRES: NA.25
• PubChem Substance ID: 57651440
• EC Number: 204-479-9
• Beilstein/REAXYS Number: 3898548
• MDL number: MFCD00011742

Properties

• description: cationic
• Quality Segment: 100
• product line: BioUltra
• assay: ≥99.0% (AT)
• form: (Powder, Colorless or White)
• mol wt: 448.08 g/mol
• impurities: insoluble matter, passes filter test, ≤5% water
• pH: 5.5-7.5 (25 °C, 0.1 M in H₂O)
• mp: 162-164 °C (lit.)
• solubility: H₂O: 0.1 M at 20 °C, clear, colorless
• anion traces: sulfate (SO₄^2-): ≤50 mg/kg
• cation traces: Al: ≤5 mg/kg, Ba: ≤5 mg/kg, Bi: ≤5 mg/kg, Ca: ≤10 mg/kg, Cd: ≤5 mg/kg, Co: ≤5 mg/kg, Cr: ≤5 mg/kg, Cu: ≤5 mg/kg, Fe: ≤5 mg/kg, K: ≤50 mg/kg, Li: ≤5 mg/kg, Mg: ≤5 mg/kg, Mn: ≤5 mg/kg, Mo: ≤5 mg/kg, Na: ≤50 mg/kg, Ni: ≤5 mg/kg, Pb: ≤5 mg/kg, Sr: ≤5 mg/kg, Zn: ≤5 mg/kg
• absorption: cut-off at 300 nm in H₂O at 0.1 M
• application(s): (Pharmaceuticals/personal care); (Pharmaceuticals/personal care)
• SMILES string: [Cl-].CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1
• InChI: 1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1
• InChI key: UREZNYTWGJKWBI-UHFFFAOYSA-M

Description

General description

The benzethonium chloride is a well characterized skin irritant and rare sensitizer.

Application

Benzethonium chloride has been used in a study to assess the minimum inhibitory concentrations of meticillin-resistant Staphylococcus aureus (MRSA) isolates from Malaysia. It has also been used in a study to prepare biocomposite films from sodium alginate and modified clay.

Disclaimer

The product is not intended foruse as a biocide under global biocide regulations, including but not limited toUS EPA′s Federal Insecticide Fungicide and Rodenticide Act, European BiocidalProducts Regulation, Canada’s Pest Management Regulatory Agency, Turkey’sBiocidal Products Regulation, Korea’s Consumer Chemical Products and BiocideSafety Management Act (K-BPR) and others.

Safety Information

• pictograms: GHS06,GHS05,GHS09
• signalword: Danger
• hcodes: H301,H314,H410
• pcodes: P260 - P273 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Skin Corr. 1B
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk: WGK 2
• ppe: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges