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Benzalkonium chloride

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Identification
Molecular formula
C22H40ClN
CAS number
8001-54-5
IUPAC name
diethyl-[2-(2-hydroxy-2,2-diphenyl-acetyl)oxyethyl]-methyl-ammonium;chloride
State
State

At room temperature, benzalkonium chloride is typically found as a liquid or in gel form. The consistency can vary based on the formulation, ranging from a thinner liquid to a viscous gel.

Melting point (Celsius)
-16.00
Melting point (Kelvin)
257.15
Boiling point (Celsius)
173.00
Boiling point (Kelvin)
446.15
General information
Molecular weight
336.98g/mol
Molar mass
336.9780g/mol
Density
0.9830g/cm3
Appearence

Benzalkonium chloride appears as a colorless or pale yellow liquid or gel-like substance. It is often found in liquid form in household disinfectants, antiseptics, and personal care products. In certain formulations, it may appear as a white powder.

Comment on solubility

Solubility of Diethyl-[2-(2-hydroxy-2,2-diphenyl-acetyl)oxyethyl]-methyl-ammonium; Chloride

The solubility of the compound diethyl-[2-(2-hydroxy-2,2-diphenyl-acetyl)oxyethyl]-methyl-ammonium; chloride can be influenced by several factors due to its intricate molecular structure.

  • Polarity: This compound is likely to be polar, given its ammonium group and hydroxyl functionalities, which typically enhance solubility in polar solvents such as water.
  • Hydrogen bonding: The presence of the hydroxyl group allows for potential hydrogen bonding with solvent molecules, further contributing to its solubility in aqueous environments.
  • Influence of the alkyl chain: The diethyl moiety may introduce some hydrophobic character, which can limit solubility in water but may increase solubility in organic solvents such as ethanol or acetone.
  • Salt formation: As a chloride salt, it can dissociate in solution, increasing its solubility compared to its free base form, particularly in polar solvents.

In summary, while diethyl-[2-(2-hydroxy-2,2-diphenyl-acetyl)oxyethyl]-methyl-ammonium; chloride shows significant potential for solubility in polar solvents, its complete solubility profile would require empirical testing to confirm exact behavior. It is essential to consider both the polar and nonpolar aspects of the molecule when determining optimal solvent systems for its use.

Interesting facts

Interesting Facts about Diethyl-[2-(2-hydroxy-2,2-diphenyl-acetyl)oxyethyl]-methyl-ammonium;chloride

Diethyl-[2-(2-hydroxy-2,2-diphenyl-acetyl)oxyethyl]-methyl-ammonium;chloride is an intriguing compound with a rich chemical background. Here are some fascinating highlights:

  • Quaternary Ammonium Compound: As a quaternary ammonium chloride, this compound features a nitrogen atom bonded to four organic groups, which significantly affects its properties and applications.
  • Biochemical Significance: Due to its specific functional groups, this compound can play a role in biochemical pathways, making it potentially useful in pharmaceutical applications. Its ability to interact with biological systems opens avenues for drug design.
  • Versatile Uses: Compounds like this one are often utilized in various fields, including agriculture as biocides, in cosmetics for maintaining skin hydration, and in material science for modifying surface properties.
  • Influence on Membrane Permeability: The presence of ammonium groups can enhance the permeability of cell membranes which is a key factor in drug delivery systems. This property allows for improved absorption of therapeutics in medical treatments.
  • Structure Activity Relationship (SAR): The unique structure of this compound, particularly the diphenyl-acetyl functionality, suggests potential modifications that could enhance its biological activity through SAR studies.

In conclusion, Diethyl-[2-(2-hydroxy-2,2-diphenyl-acetyl)oxyethyl]-methyl-ammonium;chloride is a compound that marries structural intrigue with practical utility, emphasizing the endless possibilities in the study and application of chemical compounds. Its potential impact on both health and industry underscores the importance of ongoing research in chemical sciences.

Synonyms
Benzilyloxyethyldiethylmethylammonium chloride
1166-85-4
Diethyl(2-hydroxyethyl)methylammonium chloride, benzilate
AMMONIUM, (2-BENZILOYLOXYETHYL)DIETHYLMETHYL-, CHLORIDE
Ethanaminium, N,N-diethyl-2-((hydroxydiphenylacetyl)oxy)-N-methyl-, chloride
SCHEMBL8816404
DTXSID70922109
N,N-Diethyl-2-{[hydroxy(diphenyl)acetyl]oxy}-N-methylethan-1-aminium chloride