Catalog Number
ACM121540-1
Product Name
Benzethonium chloride
Category
Heterocyclic Organic Compound
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 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
Density
0.998 g/mL at 20 °C
Solubility
Soluble in water
Application
Recirculating water systems
Covalently-Bonded Unit Count
2
Defined Atom Stereocenter Count
0
Hydrogen Bond Acceptor Count
3
Hydrogen Bond Donor Count
0
Isomeric SMILES
CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]
Monoisotopic Mass
447.2904073
Safety Description
26-36/39-24/25-36/37/39-61-45
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.
Supplemental Hazard Statements
H412-H301-H314-H410-H302-H315-H319-H318-H400
Symbol
GHS05,GHS06,GHS09,GHS07
Topological Polar Surface Area
18.5 Ų
Download
