53751

Benzethonium chloride

BioUltra, ≥99.0% (AT)

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

Properties

• Quality Level: 100
• description: cationic
• product line: BioUltra
• assay: ≥99.0% (AT)
• 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
• SMILES string: Cl-.CC(C)(C)CC(C)(C)c1ccc(OCCOCCN+(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 cationic detergent 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.

Safety Information

• Pictograms: GHS05,GHS06,GHS09
• Signal Word: Danger
• Hazard Statements: H301 - H314 - H410
• Precautionary Statements: P260 - P273 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US),Eyeshields,Gloves
• Hazard Codes: C,N
• Risk Statement: 22-34-50/53
• Safety Statement: 26-36/37/39-45-61
• RIDADR: UN 2923 6.1(8) / PGIII
• WGK Germany: WGK 2