Benzethonium Chloride

• CAT Number: A000596
• CAS Number: 121-54-0
• Molecular Formula: C27H42NO2.Cl
• Molecular Weight: 448.08
• Purity: ≥95%
• Target: Neuronal Signaling
• Storage: Store at -20°C
• IUPAC Name: benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride
• InChI: 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
• InChIKey: UREZNYTWGJKWBI-UHFFFAOYSA-M
• SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]

Benzethonium Chloride (CAS 121-54-0) is a well characterized skin irritant and rare sensitizer. It 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.

Reference

1.Tezcan, Filiz, et al. "Biocomposite films based on alginate and organically modified clay." International journal of biological macromolecules 50.4 (2012): 1165-1168.
2.Shamsudin, M. N., et al. "High prevalence of qacA/B carriage among clinical isolates of meticillin-resistant Staphylococcus aureus in Malaysia." Journal of Hospital Infection 81.3 (2012): 206-208.
3.Dao Jr, Harry, Chris Fricker, and Susan T. Nedorost. "Sensitization prevalence for benzalkonium chloride and benzethonium chloride." Dermatitis 23.4 (2012): 162-166.