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Benzalkonium chloride

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Identification
Molecular formula
C27H42ClNO2
CAS number
8001-54-5
IUPAC name
benzyl-dimethyl-[2-[2-[3-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium;chloride
State
State

At room temperature, benzalkonium chloride is typically in a solid or powder form. When dissolved, it forms a solution that may be either clear or slightly cloudy.

Melting point (Celsius)
-20.00
Melting point (Kelvin)
253.15
Boiling point (Celsius)
300.00
Boiling point (Kelvin)
573.15
General information
Molecular weight
403.50g/mol
Molar mass
403.5000g/mol
Density
0.9900g/cm3
Appearence

Benzalkonium chloride appears as a white or yellowish-white powder. It is a surfactant and antimicrobial agent commonly used in cleaners, disinfectants, and sanitizers.

Comment on solubility

Solubility of Benzyl-dimethyl-[2-[2-[3-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium Chloride

The solubility of benzyl-dimethyl-[2-[2-[3-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium chloride can be influenced by a number of factors:

  • Polar Nature: As an ammonium salt, it is generally expected to be soluble in water due to its ionic nature. Ionic compounds typically dissociate in polar solvents.
  • Hydrophobic Chains: The presence of long hydrophobic alkyl chains, such as in the tetramethylbutyl group, may hinder solubility in water but can enhance solubility in organic solvents.
  • Solvent Interaction: The solubility will significantly vary depending on the solvent used. It may show increased solubility in organic solvents as opposed to water.
  • Temperature Dependence: Like many compounds, its solubility may increase with temperature, potentially allowing better dissolution in various solvents.

Overall, while benzyl-dimethyl-[2-[2-[3-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium chloride might be soluble in polar solvents, the hydrophobic characteristics introduced by its side chains can complicate its solubility profile. It is essential to consider the specific context of use, including the solvent and temperature conditions, to accurately predict its solubility behavior.

Interesting facts

Interesting Facts about Benzyl-Dimethyl-[2-[2-[3-Methyl-4-(1,1,3,3-Tetramethylbutyl)Phenoxy]Ethoxy]Ethyl]Ammonium Chloride

This compound is a fascinating example of a quaternary ammonium salt, often classified for its application in various scientific and industrial arenas. Here are some intriguing aspects to note:

  • Biological Activity: Quaternary ammonium compounds like this one are widely known for their surfactant properties. They are capable of reducing surface tension, which can be incredibly useful in formulations ranging from disinfectants to hair conditioners.
  • Chemical Structure: The compound features *multiple functional groups*, contributing to its unique chemical reactivity and solubility characteristics. Its complex structure allows for interactions with both polar and non-polar environments.
  • Application in Antibacterial Agents: Compounds of this nature are often utilized as antimicrobial agents, taking advantage of their ability to disrupt microbial cell membranes and thus playing a role in infection control and hygiene.
  • Role in Cosmetology: Due to its properties, this compound is sometimes found in personal care products, especially those aimed at enhancing texture and stability.
  • Research Potential: Its unique combination of molecules makes it a candidate for further research into drug delivery systems. Scientists are intrigued by how such compounds can enhance solubility and bioavailability of pharmaceutical agents.

As we explore the potential of this compound, it is vital to consider its impact not only in consumer products but also in advancing scientific research. "The study of complex molecules opens the door to innovation," a sentiment often echoed in the scientific community.

In conclusion, the investigation into the applications and implications of benzyl-dimethyl-[2-[2-[3-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium chloride continues to reveal new possibilities, making it a significant subject of study in chemistry.

Synonyms
3-Methylbenzethonium chloride
15716-02-6
UNII-Q827QV2C17
Q827QV2C17
Benzyldimethyl(2-(2-((4-(1,1,3,3-tetramethylbutyl)-M-tolyl)oxy)ethoxy)ethyl)ammonium chloride
DSSTox_CID_15708
DSSTox_RID_79266
DSSTox_GSID_35708
Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(3-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride
benzyl-dimethyl-[2-[2-[3-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride
SCHEMBL1652001
CHEMBL2356578
DTXSID30872313
WYWSKWZUWZLELX-UHFFFAOYSA-M
Tox21_113530
Tox21_301446
Tox21_113530_1
NCGC00016789-06
NCGC00255508-01
Q27287101
AMMONIUM, BENZYLDIMETHYL(2-(2-((4-(1,1,3,3-TETRAMETHYLBUTYL)-M-TOLYL)OXY)ETHOXY)ETHYL)-, CHLORIDE
BENZENEMETHANAMINIUM, N,N-DIMETHYL-N-(2-(2-(3-METHYL-4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)ETHOXY)ETHYL)-, CHLORIDE (1:1)
N-benzyl-N,N-dimethyl-2-(2-(3-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy)ethoxy)ethanaminium chloride