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Benzalkonium chloride

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Identification
Molecular formula
C22H40ClNO2
CAS number
8001-54-5
IUPAC name
dimethyl-[3-(2-phenoxyacetyl)oxy-3-phenyl-pentyl]ammonium;chloride
State
State

At room temperature, benzalkonium chloride can exist in different forms, largely dependent on its purity and formulation. As a pure compound, it is a solid, but in commercial and industrial use, it is frequently encountered in aqueous solutions.

Melting point (Celsius)
-4.00
Melting point (Kelvin)
269.15
Boiling point (Celsius)
100.00
Boiling point (Kelvin)
373.15
General information
Molecular weight
339.95g/mol
Molar mass
339.9500g/mol
Density
0.9808g/cm3
Appearence

Benzalkonium chloride typically appears as a white or slightly yellow powder. It may also be available in the form of an aqueous solution with varying concentrations. As a solid, it might form flakes or granules.

Comment on solubility

Solubility of Dimethyl-[3-(2-phenoxyacetyl)oxy-3-phenyl-pentyl]ammonium Chloride

The solubility of dimethyl-[3-(2-phenoxyacetyl)oxy-3-phenyl-pentyl]ammonium chloride can be influenced by several factors:

  • Polarity: This compound exhibits a moderate level of polarity due to the presence of the quaternary ammonium group. Quaternary ammonium salts usually have good solubility in polar solvents.
  • Solvent interaction: The solubility in water is primarily dependent on the hydrophilic phenoxyacetyl group, which promotes interactions with water molecules.
  • Concentration and temperature: Like most ionic compounds, the solubility may increase with temperature; thus, it’s crucial to consider these conditions in practical applications.

It is often observed that “the more ionized the compound, the higher the solubility in water.” Therefore, based on its structure, dimethyl-[3-(2-phenoxyacetyl)oxy-3-phenyl-pentyl]ammonium chloride is expected to be soluble in aqueous solutions, especially compared to nonpolar organic solvents.

Overall, understanding the solubility of this compound is vital for its applications in various fields, including pharmaceuticals and chemical synthesis, where solubility can affect reactivity and bioavailability.

Interesting facts

Interesting Facts about Dimethyl-[3-(2-Phenoxyacetyl)oxy-3-phenyl-Pentyl]ammonium Chloride

This fascinating compound, known as dimethyl-[3-(2-phenoxyacetyl)oxy-3-phenyl-pentyl]ammonium chloride, is rich in chemical diversity and potential applications. From a scientific perspective, here are some noteworthy points:

  • Quaternary Ammonium Compound: As a quaternary ammonium compound, it features a positively charged nitrogen atom intricately linked to various organic groups. This structure contributes to its unique properties and reactivity.
  • Biological Relevance: The presence of the phenoxyacetyl group suggests potential biological activity, possibly interacting with biological membranes or enzymes.
  • Applications: Compounds like this one often find applications as surfactants, in drug formulations, or as antimicrobial agents. Their ability to interact with lipophilic and hydrophilic environments makes them versatile in various fields, from pharmaceuticals to agriculture.
  • Structure-Activity Relationship: The complex structure provides a rich platform for studying how changes in molecular structure can affect biological activity and efficacy. This could lead to the development of novel therapeutics.
  • Research Potential: Ongoing research in medicinal chemistry could explore the synthesis and optimization of derivatives of this compound, potentially enhancing its effectiveness or reducing toxicity.

In summary, dimethyl-[3-(2-phenoxyacetyl)oxy-3-phenyl-pentyl]ammonium chloride exemplifies the beauty of synthetic chemistry. As scientists continue to explore such compounds, they unlock new possibilities for innovation and discovery in multiple disciplines.

Synonyms
Phenoxyacetic acid alpha-(2-(dimethylamino)ethyl)-alpha-ethylbenzyl ester hydrochloride
13087-54-2
Acetic acid, phenoxy-, alpha-(2-(dimethylamino)ethyl)-alpha-ethylbenzyl ester, hydrochloride