Benzethonium chloride

• CAS: 121-54-0
• Catalog Number: ACM121540-1
• Category: Other Products
• Molecular Weight: 448.08
• Molecular Formula: C27H42ClNO2
• 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
• 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
• Appearance: White powder
• Application: Recirculating water systems
• Storage: Ambient
• Active Content: 95%
• Assay: 97 - 103%
• Complexity: 466
• Covalently-Bonded Unit Count: 2
• Defined Atom Stereocenter Count: 0
• EC Number: 204-479-9
• Exact Mass: 447.2904073
• Formal Charge: 0
• Hazard Codes: Xn
• Hazard Statements: Xn,N,C
• Heavy Atom Count: 31
• HS Code: 2942000000
• 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-]
• LogP: 3.07640
• MDL Number: MFCD00011742
• Monoisotopic Mass: 447.2904073
• pH: 5.5-7.5
• Physical State: Solid
• PSA: 18.46
• RIDADR: UN1759
• Rotatable Bond Count: 12
• 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
• WGK Germany: 2

Custom Q&A

What is the molecular weight of benzethonium chloride?

The molecular weight of benzethonium chloride is 448.1 g/mol.

What is the molecular formula of benzethonium chloride?

The molecular formula of benzethonium chloride is C27H42NO2.Cl.

What are the synonyms for benzethonium chloride?

The synonyms for benzethonium chloride include Hyamine, Phemerol Chloride, and Phemeride.

What is the IUPAC name of benzethonium chloride?

The IUPAC name of benzethonium chloride is benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride.

What is the InChI key of benzethonium chloride?

The InChI key of benzethonium chloride is UREZNYTWGJKWBI-UHFFFAOYSA-M.

What is the CAS number of benzethonium chloride?

The CAS number of benzethonium chloride is 121-54-0.

What is the common use of benzethonium chloride?

Benzethonium chloride is commonly used as an antiseptic drug, disinfectant, antibacterial agent, antiviral agent, and antifungal agent.

What is the appearance of benzethonium chloride?

Benzethonium chloride appears as odorless white crystals or powder with a very bitter taste.

What is the role of benzethonium chloride in the food processing and pharmaceutical industries?

Benzethonium chloride is used to disinfect apparatus in the food processing and pharmaceutical industries, as well as in surgery and as a preservative.

Is benzethonium chloride toxic orally?

Yes, benzethonium chloride is toxic orally due to neuromuscular blockade.