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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-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium
State
State

At room temperature, benzalkonium chloride is typically found as a liquid solution or occasionally as a solid powder. In the solution form, it is a colorless to pale yellow liquid, while the solid form is a white powder with a characteristic aromatic odor.

Melting point (Celsius)
-20.00
Melting point (Kelvin)
253.15
Boiling point (Celsius)
100.00
Boiling point (Kelvin)
373.15
General information
Molecular weight
339.92g/mol
Molar mass
339.9210g/mol
Density
0.9880g/cm3
Appearence

Benzalkonium chloride typically appears as a colorless or pale yellow liquid, or in some preparations as a white solid or powder. It is often supplied in an aqueous solution. The solid form has a slight aromatic odor.

Comment on solubility

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

The solubility of benzyl-dimethyl-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium (C27H42ClNO2) can be intriguing due to its complex structure and the presence of both hydrophobic and hydrophilic characteristics. This compound’s solubility properties can be summarized as follows:

  • Polar Features: The presence of a quaternary ammonium group contributes to some degree of hydrophilicity, which may enhance its solubility in polar solvents.
  • Hydrophobic Components: The large alkyl groups, particularly the 1,1,3,3-tetramethylbutyl group, increase the hydrophobic characteristics of the molecule, which can limit its solubility in water.
  • Solvent Compatibility: It is likely to be more soluble in organic solvents such as methanol, ethanol, or acetone, where the interaction with solvent molecules can overcome hydrophobic interactions.
  • Temperature Influence: Like many organic compounds, the solubility of this ammonium salt may be affected by temperature; generally, increasing temperature can enhance solubility in certain solvents.

To quote a common observation in chemistry, "Like dissolves like." Therefore, understanding the balance between its polar and nonpolar parts is key to predicting its solubility behavior. Adequate solvent choice is essential for applications involving this compound, ensuring effective dissolution and utilization in various chemical processes.

Interesting facts

Interesting Facts about Benzyl-dimethyl-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium

Benzyl-dimethyl-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium is a fascinating compound, particularly appreciated in the field of chemistry due to its unique molecular structure and properties. Here are some intriguing points to consider:

  • Quaternary Ammonium Compound: This compound belongs to the family of quaternary ammonium compounds, which are known for their ability to act as surfactants, disinfectants, and antimicrobial agents. Their functionality in a variety of applications makes them significant in both industrial and medical fields.
  • Structure and Design: The presence of a bulky tetramethylbutyl group within the structure enhances lipophilicity, allowing the compound to interact with biological membranes effectively. This aspect is crucial for its potential in drug delivery systems and various pharmacological applications.
  • Potential Antimicrobial Properties: Studies have suggested that quaternary ammonium compounds can exhibit disinfectant properties, making them valuable for cleaning agents and antiseptics. The antimicrobial action is primarily due to their ability to disrupt cell membranes of bacteria.
  • Applications in Surfactant Chemistry: Due to its amphiphilic nature (having both hydrophobic and hydrophilic parts), this compound can be utilized in formulating surfactants for cleaning, emulsification, and stabilization of different mixtures.
  • Chemical Versatility: The complex structure allows for potential modifications and derivatizations, which could lead to a range of derivatives with distinct properties and applications. This versatility is of great interest in synthetic chemistry.
  • Sustainability Considerations: Researchers are also exploring greener synthesis routes for such compounds to minimize environmental impact, promoting sustainability in the chemical industry.

In conclusion, benzyl-dimethyl-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium is not just a chemically interesting compound but also plays a vital role in numerous practical applications. As research continues, it may reveal further potential and innovative uses, contributing to advancements in various scientific fields.

Synonyms
benzethonium
benzethonium hydroxide
Benzethonium ion
Benzethonium cation
10172-60-8
Benzothonium
498-77-1
UNII-1VU15B70BP
Solamine
1VU15B70BP
Benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)ammonium
Ammonium, benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-
Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)
benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium
benzethonium hydrochloride
CHEMBL221753
benzyl-dimethyl-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium
BENZENEMETHANAMINIUM, N,N-DIMETHYL-N-(2-(2-(4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)ETHOXY)ETHYL)-
NCGC00016373-03
CAS-121-54-0
BztCl
N-benzyl-N,N-dimethyl-2-(2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)ethoxy)ethanaminium
N-benzyl-N,N-dimethyl-2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethanaminium
Spectrum_000072
Prestwick0_000708
Prestwick1_000708
Prestwick2_000708
Prestwick3_000708
Spectrum2_000134
Spectrum3_000313
Spectrum4_000248
Spectrum5_000858
cid_8478
BENZOTHONIUM [VANDF]
BSPBio_000895
BSPBio_001906
KBioGR_000656
KBioSS_000472
BENZETHONIUM [WHO-DD]
DivK1c_000775
SCHEMBL122985
SPBio_000208
SPBio_002816
BPBio1_000985
CHEMBL1182210
DTXSID5046984
CHEBI:94725
KBio1_000775
KBio2_000472
KBio2_003040
KBio2_005608
KBio3_001406
NINDS_000775
BDBM50203812
STL256857
AKOS022098568
DB11125
IDI1_000775
QTL1_000012
NCGC00016373-01
NCGC00016373-02
NCGC00016373-04
NCGC00016373-05
NCGC00016373-07
NCGC00016373-09
NCI60_001693
SBI-0051292.P003
AB00053793
NS00010384
A19421
AB00053793_12
AB00053793_13
BRD-K72723676-003-10-3
BRD-K72723676-003-16-0
BRD-K72723676-003-17-8
Q27166518
2-(2-(4-diisobutylphenoxy)ethoxy)ethyl)dimethylbenzylammoniumchloride
dimethyl-(phenylmethyl)-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]ammonium