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

At room temperature, benzalkonium chloride is typically a solid in its pure form. However, it is commonly used as an aqueous solution where it appears as a liquid, serving as a disinfectant and antiseptic in various concentrations.

Melting point (Celsius)
42.00
Melting point (Kelvin)
315.15
Boiling point (Celsius)
300.00
Boiling point (Kelvin)
573.15
General information
Molecular weight
340.00g/mol
Molar mass
340.0000g/mol
Density
0.9801g/cm3
Appearence

Benzalkonium chloride is a white or slightly yellowish, waxy solid. It is typically found in a powder or crystalline form but is often used in a dissolved state as an aqueous solution which appears colorless or faintly yellow. The compound can have a slight aromatic odor.

Comment on solubility

Solubility of Benzyl-dimethyl-[2-[2-[2-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium (C27H42ClNO2)

The solubility of Benzyl-dimethyl-[2-[2-[2-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium can be quite complex due to its unique structural features. Here are some insights regarding its solubility:

  • Polarity: The presence of both a quaternary ammonium group and multiple ether linkages in the molecule contributes to its moderate polarity, which influences its interaction with solvents.
  • Solvent Compatibility: Generally, quaternary ammonium compounds tend to be soluble in polar solvents like water and ethanol, but solubility can vary depending on the specific solvent and temperature.
  • Alkyl Groups: The large bulky alkyl chains, such as those from 1,1,3,3-tetramethylbutyl, may hinder solubility in non-polar solvents, while enhancing it in polar solvents.
  • Dynamics of Solubility: Factors such as pH, ionic strength, and the presence of other solutes can further affect solubility.

In practice, it may be observed that this compound exhibits preferential solubility in certain solvents, reflecting the intricate balance of its structural characteristics. As always, empirical testing is vital to determine the specific solubility profile in relevant systems.

Interesting facts

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

Benzyl-dimethyl-[2-[2-[2-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium, often referred to in chemical discussions by its core functional groups, has remarkable facets that intrigue both chemists and industry professionals. This compound is notable for its complex structure, which encompasses the following characteristics:

  • Ammonium Salt: As a quaternary ammonium compound, it carries a permanent positive charge, enabling it to function effectively in various applications, particularly in surfactants.
  • Surfactant Properties: It is utilized in formulations for its emulsifying properties, helping to stabilize mixtures of oil and water.
  • Hydrophobic Characteristics: The presence of the bulky 1,1,3,3-tetramethylbutyl group enhances its hydrophobicity, making it valuable in applications requiring water-resistant formulations.
  • Potential Biological Activity: Compounds of this nature often exhibit interesting biological properties, potentially influencing cell membranes, making them a subject of research in pharmacology.

Furthermore, this compound’s structure illustrates the fascinating interplay of chemistry and industrial applications. The combination of aromatic systems and quaternary ammonium functional groups opens exciting avenues for exploration in fields such as:

  1. Drug Delivery Systems: Due to its amphiphilic nature, it may be investigated as a vehicle for delivering therapeutic agents.
  2. Antimicrobial Agents: Its ability to disrupt microbial membranes positions it as a candidate for antimicrobial formulations.
  3. Cosmetic Applications: This compound can enhance the stability and performance of various cosmetic products.

In summary, Benzyl-dimethyl-[2-[2-[2-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium showcases the fascinating combination of chemical structure and functional versatility, proving itself as an intriguing subject in the world of chemistry.

Synonyms
Methylbenzethonium
UNII-NJX1653L36
72013-76-4
NJX1653L36
Benzyldimethyl(2-(2-((4-(1,1,3,3-tetramethylbutyl)-o-tolyl)oxy)ethoxy)ethyl)ammonium
MLS002153966
SMR001233305
KBio1_000679
Methylbenzethonium ion
Spectrum_001617
Methylbenzethonium cation
Prestwick0_000705
Prestwick1_000705
Prestwick2_000705
Prestwick3_000705
Spectrum2_001544
Spectrum3_001178
Spectrum4_000191
Spectrum5_001247
methylbenzethonium-chloride
BSPBio_000889
BSPBio_002795
KBioGR_000761
KBioSS_002097
DivK1c_000679
SCHEMBL790480
SPBio_001388
SPBio_002810
BPBio1_000979
CHEMBL1314065
BDBM79207
CHEBI:94628
cid_5702238
KBio2_002097
KBio2_004665
KBio2_007233
KBio3_002295
DTXSID20865274
NINDS_000679
((((1,1,3,3-tetramethylbutyl)cresoxy)ethoxy)ethyl)dimethylbenzylammonium chloride
benzyl-dimethyl-[2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium
IDI1_000679
NCGC00016789-01
NCGC00016789-02
NCGC00164393-02
SBI-0051805.P002
AB00053820
AB00053820_10
BRD-K46531780-003-09-8
BRD-K46531780-003-18-9
Q27166449
AMMONIUM, BENZYLDIMETHYL(2-(2-((4-(1,1,3,3-TETRAMETHYLBUTYL)-O-TOLYL)OXY)ETHOXY)ETHYL)-
BENZENEMETHANAMINIUM, N,N-DIMETHYL-N-(2-(2-(2-METHYL-4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)ETHOXY)ETHYL)-
benzyl-dimethyl-[2-[2-[2-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium;chloride
dimethyl-[2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]-(phenylmethyl)ammonium;chloride
dimethyl-[2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]-(phenylmethyl)azanium;chloride
N,N-Dimethyl-N-[2-[2-[2-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]benzenemethanaminium