Benzyldimethyl(tridecyl)ammonium chloride

Base Information

• Chemical Name: Benzyldimethyl(tridecyl)ammonium chloride
• CAS No.: 8001-54-5
• Molecular Formula: Unspecified
• Molecular Weight: 368.03900
• Hs Code.: 34021200
• European Community (EC) Number: 216-695-0
• NSC Number: 758480
• DSSTox Substance ID: DTXSID70936908
• ChEMBL ID: CHEMBL502109
• Mol file: 8001-54-5.mol

Synonyms:Alkyldimethylbenzylammonium Chloride;Asepsol;Benzalkonium;Benzalkonium Chloride;Benzalkonium Compounds;BTC 2125;BTC-2125;BTC2125;Chloride, Alkyldimethylbenzylammonium;Chloride, Benzalkonium;Compounds, Benzalkonium;Drapolene;Germex;Osvan;Zephiran

Chemical Property of Benzyldimethyl(tridecyl)ammonium chloride

Chemical Property:

• Appearance/Colour: white or light yellow/grey solid, or colourless aqueous solution
• Boiling Point: >100°C/760mmHg
• PSA: 0.00000
• Density: 0.98 g/cm³
• LogP: 3.96810
• Storage Temp.: 2-8°C
• Solubility.: Very soluble in water and in ethanol (96 per cent). An aqueous solution froths copiously when shaken.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 14
• Exact Mass: 353.2849280
• Heavy Atom Count: 24
• Complexity: 253

Purity/Quality:

50%, 80%, 98% Min ^*data from raw suppliers

BAK ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,N
• Hazard Codes: C,N
• Statements: 21/22-34-50
• Safety Statements: 36/37/39-45-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
• Description: Benzalkonium chloride is a quaternary ammonium mixture of alkyl, dimethyl and benzyl ammonium chlorides.It is an irritant rather than a sensitizer, but may cause contact dermatitis in nursing and medical personnel. An unusual case was reported in a farm worker who used a detergent containing benzalkonium chloride to clean the piggery.
• Uses: Benzalkonium chloride is a quaternary ammonium antiseptic and disinfectant with actions and uses similar to those of other cationic surfactants. It is used prior to surgical procedures or for minor wound care to reduce risks of infection.? For most multidose aqueous nasal, ophthalmic and otic products, benzalkonium chloride is the preservative of choice. benzalkonium chloride is a preservative with anti-microbial and deodorant properties. It can also be used as a surfactant. With continuous use, it may cause occasional allergic reactions. Cationic surface active agent and germicide. Pharmaceutic aid (preservative). Algicide.
• Clinical Use: Alkylbenzyldimethylammonium chloride (Zephiran) is a mixtureof alkylbenzyldimethylammonium chlorides of the generalformula [C6H5CH2N(CH3)2R] Cl , where R represents amixture of alkyl chains beginning with C8H17 and extendingto higher homologues with C12H25, C14H29, and C16H33. The higher–molecular-weight homologues compose the majorfractions. Although variations in the physical and antimicrobialproperties exist between individual members of the mixture,they are of little importance in the chemistry of the overallproduct. Benzalkonium chloride occurs as a white gel thatis soluble in water, alcohol, and organic solvents. Aqueous solutionsare colorless, slightly alkaline, and very foamy.Benzalkonium chloride is a detergent, an emulsifier, anda wetting agent. It is used as an antiseptic for skin and mucousmembranes in concentrations of 1:750 to 1:20,000. Forirrigation, 1:20,000 to 1:40,000 concentrations are used. Forstorage of surgical instruments, 1:750 to 1:5,000 concentrationsare used, with 0.5% NaNO3 added as a preservative.