Benzethonium chloride

Benzethonium chloride
Kekulé, skeletal formula of benzethonium chloride
Space-filling model of the component ions benzethonium chloride
Names
Preferred IUPAC name
N-Benzyl-N,N-dimethyl-2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethan-1-aminium chloride
Systematic IUPAC name
Benzyldimethyl(2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl)azanium chloride
Identifiers
3D model (JSmol)
3898548
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.004.073 Edit this at Wikidata
EC Number
  • 204-479-9
KEGG
MeSH Benzethonium
RTECS number
  • BO7175000
UNII
UN number 2923
  • 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 checkY
    Key: UREZNYTWGJKWBI-UHFFFAOYSA-M checkY
  • InChI=1/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
    Key: UREZNYTWGJKWBI-REWHXWOFAF
  • [Cl-].CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1
  • [Cl-].CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1
Properties
C27H42ClNO2
Molar mass 448.09 g·mol−1
Melting point 163 °C (325 °F; 436 K)
40 g dm−3 (at 20 °C)
Pharmacology
D08AJ08 (WHO) R02AA09 (WHO)
topical
Legal status
Hazards
GHS labelling:
GHS05: Corrosive GHS06: Toxic GHS09: Environmental hazard
Danger
H301, H314, H400
P273, P280, P305+P351+P338, P310
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Benzethonium chloride, also known as hyamine is a synthetic quaternary ammonium salt. This compound is an odorless white solid, soluble in water. It has surfactant, antiseptic, and anti-infective properties, and it is used as a topical antimicrobial agent in first aid antiseptics. It is also found in cosmetics and toiletries such as soap, mouthwashes, anti-itch ointments, and antibacterial moist towelettes. Benzethonium chloride is also used in the food industry as a hard surface disinfectant.[1]