Benzethonium chloride
SIGMA/53751 - BioUltra, ≥99.0% (AT)
Synonym: (Diisobutylphenoxyethoxyethyl)
CAS Number: 121-54-0
Empirical Formula (Hill Notation): C27H42ClNO2
Molecular Weight: 448.08
EC Number: 204-479-9
MDL Number: MFCD00011742
Linear Formula: C27H42ClNO2
Product Type: Chemical
| absorption | cut-off at 300 nm in H2O at 0.1 M |
| anion traces | sulfate (SO42-): ≤50 mg/kg |
| assay | ≥99.0% (AT) |
| 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 | |
| description | cationic |
| impurities | insoluble matter, passes filter test |
| ≤5% water | |
| InChI | 1S/C27H42NO2.ClH/c1-26(2, |
| InChI key | UREZNYTWGJKWBI-UHFFFAOYSA |
| mol wt | 448.08 g/mol |
| mp | 162-164 °C (lit.) |
| pH | 5.5-7.5 (25 °C, 0.1 M in H2O) |
| product line | BioUltra |
| Quality Level | 100  |
| SMILES string | [Cl-].CC(C)(C)CC(C)(C)c1c |
| solubility | H2O: 0.1 M at 20 °C, clear, colorless |
| 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. |
| General description: | The benzethonium chloride is a well characterized skin irritant and rare sensitizer. |
| Symbol |    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 |
| Hazard Codes | C,N |
| Risk Statements | 22-34-50/53 |
| Safety Statements | 26-36/37/39-45-61 |
| RIDADR | UN 2923 6.1(8) / PGIII |
| WGK Germany | WGK 2 |
| Purity | ≥99.0% (AT) |
| mp | 162-164 °C (lit.) |
| UNSPSC | 12161900 |