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Cetalkonium chloride

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Identification
Molecular formula
C21H38ClNO
CAS number
26549-75-3
IUPAC name
dimethyl-[2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6-trienyloxy)ethyl]ammonium;chloride
State
State

At room temperature, cetalkonium chloride is generally a solid in its pure form but can be found in liquid states when part of solutions.

Melting point (Celsius)
174.00
Melting point (Kelvin)
447.15
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
388.05g/mol
Molar mass
388.0470g/mol
Density
1.0100g/cm3
Appearence

Cetalkonium chloride appears as a white to off-white powder or crystalline solid. It may also be presented in the form of an aqueous solution with a clear to slightly cloudy appearance. It is commonly used in cosmetics and personal care products.

Comment on solubility

Solubility of Dimethyl-[2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6-trienyloxy)ethyl]ammonium Chloride

The solubility of dimethyl-[2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6-trienyloxy)ethyl]ammonium chloride is an interesting topic, particularly due to its complex structure. Understanding its solubility can provide insights into its potential applications and behavior in various environments:

  • Aqueous Solubility: This compound's solubility in water is influenced by the presence of the quaternary ammonium group, which typically enhances ionic interaction with water molecules, potentially increasing solubility.
  • Solvent Dependence: The solubility may differ significantly in polar versus non-polar solvents. Polar solvents might solvate the ammonium ion effectively, while non-polar solvents may not interact favorably due to the hydrophobic nature of the hydrocarbon chain.
  • Temperature Effect: As with many compounds, solubility is likely to increase with temperature, as higher thermal energy breaks intermolecular forces, allowing more solute to dissolve.
  • pH Influence: The pH of the solution could also play a critical role. Changes in pH might affect the ionization state of the ammonium group, thus impacting solubility.
  • Intermolecular Forces: Factors such as hydrogen bonding, dipole-dipole interactions, and Van der Waals forces will all be essential considerations.

In summary, while specific solubility data may be limited, the compound's structural features suggest that it likely exhibits differential solubility characteristics based on the solvent system and environmental conditions. As noted, "the chemistry of solubility is a dance between attraction and repulsion," making this compound a fascinating subject in the study of solubility dynamics.

Interesting facts

Interesting Facts about Dimethyl-[2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6-trienyloxy)ethyl]ammonium; Chloride

The compound in question represents a fascinating example of organic chemistry and highlights the complexity of modern synthetic chemistry. Here are some intriguing points to consider:

  • Structural Complexity: This compound showcases a unique tetracyclic structure, which is characteristic of certain natural products. The presence of multiple rings often contributes to enhanced stability and distinctive chemical behavior.
  • Applications: Compounds like this are commonly researched for their potential applications in fields such as materials science, medicinal chemistry, and agricultural chemistry. The ammonium chloride component suggests possible uses in ionic liquid technology or as a surfactant.
  • Biological Activity: Given its unique structure, the compound may exhibit interesting biological properties. The triene moiety could suggest potential function as a photosensitive material, potentially useful in phototherapy or as a synthetic precursor in drug development.
  • Synthesis Challenges: The synthesis of such complex molecules often involves multiple steps and requires careful optimization of reaction conditions. This highlights the creativity and skill needed in the lab to construct multi-cyclic frameworks.
  • Analytical Techniques: To understand and characterize this compound, chemists might employ techniques like NMR spectroscopy, mass spectrometry, and X-ray crystallography, each providing valuable insights into the structure and purity of the compound.

In summary, dimethyl-[2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6-trienyloxy)ethyl]ammonium; chloride is a striking example of the intricacies involved in chemical synthesis and the potential pathways for innovative applications in various scientific fields. Its complex architecture serves as a reminder of the endless possibilities within the realm of organic chemistry.

Synonyms
1,2,3,4,4a,9,9a,10-Octahydro-9-(2-(dimethylamino)ethoxy)-9,10-ethanoanthracene hydrochloride
9,10-Ethanoanthracene, 1,2,3,4,4a,9,9a,10-octahydro-9-(2-(dimethylamino)ethoxy)-, HCl
17185-23-8
Ethylamine, N,N-dimethyl-2-(1,2,3,4,4a,9a-hexahydro-9,10-ethanoanthracen-9(10H)-yloxy)-, hydrochloride