8.43983

Benzethonium chloride

for synthesis

• Synonym(s): Benzethonium chloride, N-Benzyl-N,N-dimethyl-N-[4-(1.1.3.3-tetramethylbutyl)-phenoxyethoxyethyl]ammonium chloride, Benzethonium chloride
• Empirical Formula (Hill Notation): C₂₇H₄₂ClNO₂
• CAS Number: 121-54-0
• Molecular Weight: 448.08
• MDL number: MFCD00011742
• UNSPSC Code: 12352101
• EC Index Number: 204-479-9
• NACRES: NA.22

Properties

• vapor pressure: <0.001 hPa ( 25 °C)
• Quality Level: 200
• form: solid
• autoignition temp.: 380 °C
• potency: 295 mg/kg LD₅₀, oral (Rat)
• pH: 5-6.5 (10 g/L in H₂O)
• mp: 160-166 °C
• bulk density: 440 kg/m³
• storage temp.: 15-25°C
• 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

Application

• Development of biologically active ionic liquids: Research highlighted the synthesis of new ionic liquids incorporating the benzethonium cation, which show promising SAR induction and antimicrobial properties, potentially useful in pest management and disease control applications (Czerwoniec et al., 2024).

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
• Hazard Classifications: Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Skin Corr. 1B
• Storage Class Code: 6.1A - Combustible, acute toxic Cat. 1 and 2 / very toxic hazardous materials
• WGK: WGK 2