Benzethonium chloride

Catalog	ACM121540-1
CAS	121-54-0
Structure
Category	Biocide and Algicide
Description	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 mouthwashes, anti-itch ointments, and antibacterial moist towelettes. Benzethonium chloride is also used in the food industry as a hard surface disinfectant.
Synonyms	Phemerol chloride; (Diisobutylphenoxyethoxyethyl)dimethylbenzylammonium chloride
IUPAC Name	benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride
Molecular Weight	448.08
Molecular Formula	C27H42ClNO2
Canonical SMILES	CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]
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
InChI Key	UREZNYTWGJKWBI-UHFFFAOYSA-M
Melting Point	158-164 Deg C
Purity	0.98
Density	0.998 g/mL at 20 °C
Solubility	Soluble in water
Appearance	White powder
Application	Recirculating water systems
Storage	Ambient
Assay	97 - 103%
EC Number	204-479-9
Hazard Class	8
Hazard Codes	Xn
HS Code	2942000000
LogP	3.07640
MDL Number	MFCD00011742
pH	5.5-7.5
PSA	18.46
RIDADR	UN1759
Risk Statements	R22; R36
RTECS	BO7175000
Safety Statements	S24/25
Stability	Stability Stable, but hygroscopic. Incompatible with strong oxidizing agents, soap, anionic detergents, nitrates, acids. Light sensitive.
Storage Conditions	Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.
WGK Germany	2

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