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| Catalog Number | CI-GU-0015 |
| Product Name | Benzethonium Chloride |
| CAS | 121-54-0 |
| Structure |  |
| Synonyms | Ammonium, benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride;Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride |
| IUPAC Name | benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride |
| Molecular Weight | 448.1 g/mol |
| Molecular Formula | C27H42ClNO2 |
| 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 | 162-164 °C |
| Purity | 95% |
| Density | 0.998 g/mL |
| Appearance | Solid |
| Isomeric SMILES | CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-] |
What is the chemical formula of Benzethonium chloride?
The chemical formula of Benzethonium chloride is C27H42ClNO2.
What is the molecular weight of Benzethonium chloride?
The molecular weight of Benzethonium chloride is 448.08.
At what temperature does Benzethonium chloride melt?
Benzethonium chloride melts at 162-164 °C.
What is the odor of Benzethonium chloride?
Benzethonium chloride is odorless.
How is Benzethonium chloride stored?
Benzethonium chloride should be stored at 2-8°C.
What is the pH range of Benzethonium chloride?
The pH range of Benzethonium chloride is 5.5 - 7.5.
What are the potential hazards associated with Benzethonium chloride?
Benzethonium chloride is classified as an oral poison.
What is the primary use of Benzethonium chloride in cosmetics?
Benzethonium chloride is used as a preservative in cosmetics, safe for use at concentrations of 0.5 percent.
How is Benzethonium chloride used in pharmaceutical formulations?
Benzethonium chloride is used as an antimicrobial preservative in pharmaceutical formulations, typically at concentrations of 0.01-0.02% w/v.
How is Benzethonium chloride produced?
Benzethonium chloride is produced through a series of chemical reactions involving p-Diisobutylphenol and dichlorodiethyl ether, resulting in the formation of the compound.
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