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Cetrimonium bromide

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Identification
Molecular formula
C19H42BrN
CAS number
57-09-0
IUPAC name
2-(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxyethyl-diethyl-methyl-ammonium;bromide
State
State

At room temperature, cetrimonium bromide is typically in a solid state. Due to its hygroscopic nature, it can absorb moisture and may appear slightly damp if exposed to air.

Melting point (Celsius)
248.00
Melting point (Kelvin)
521.15
Boiling point (Celsius)
370.00
Boiling point (Kelvin)
643.15
General information
Molecular weight
364.46g/mol
Molar mass
364.4610g/mol
Density
1.0500g/cm3
Appearence

Cetrimonium bromide appears as a white crystalline powder. It may be found in some formulations as a waxy solid or fine flakes. It is known for being hygroscopic, which means it can absorb moisture from the environment. It is an amphiphile, allowing it to serve as a surfactant in various applications.

Comment on solubility

Solubility of 2-(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxyethyl-diethyl-methyl-ammonium bromide

The solubility of the compound 2-(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxyethyl-diethyl-methyl-ammonium bromide (C19H42BrN) can be quite intriguing due to its complex molecular structure. Generally, the solubility of such quaternary ammonium salts is influenced by various factors:

  • Polarity: The presence of bromide ion (Br-) usually helps in enhancing solubility in polar solvents like water.
  • Molecular Weight: With a relatively high molecular weight, the compound may exhibit lower solubility compared to smaller molecules, but its quaternary structure may still allow for significant solubility.
  • Temperature: Increased temperature can often promote solubility; thus, warming the solution could facilitate the dissolution process.
  • pH Levels: Being an ammonium salt, the solution's pH can alter the ionization state of the compound, affecting its solubility.

In aqueous solutions, it's common for quaternary ammonium compounds to display good solubility, but one must consider that the cyclic and aromatic portions of this compound can create steric hindrance, potentially limiting interaction with solvent molecules. Therefore, while a general expectation could be high solubility in water, specific concentration and temperature conditions play a crucial role. Experimentation is often needed to confirm the solubility profile for practical applications in various fields.

Interesting facts

Interesting Facts About 2-(2-Cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxyethyl-Diethyl-Methyl-Ammonium Bromide

This compound, with its complex structure, is a notable example of quaternary ammonium compounds, which are often utilized for their antimicrobial properties. Here are some intriguing insights:

  • Quaternary Ammonium Compounds: Compounds like this one involve a nitrogen atom bonded to four alkyl or aryl groups, giving them unique properties that make them effective as surfactants and disinfectants.
  • Medical Applications: Due to its antimicrobial nature, this compound has potential applications in pharmaceuticals and personal care products, particularly as a preservative or anti-infective agent.
  • Surfactant Properties: The structure features both hydrophilic and hydrophobic components, which can reduce surface tension and enable better interactions with various substances, making it an effective surfactant.
  • Synthesis Opportunities: The synthesis of such compounds can be a fascinating topic in organic chemistry, where various synthetic routes can lead to variations in properties and applications.
  • Environmental Considerations: As with many synthetic compounds, understanding the environmental impact and biodegradability of this compound is vital, given the increasing concern about chemical pollution.

In summary, 2-(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxyethyl-diethyl-methyl-ammonium bromide not only represents an interesting chemical structure but also highlights the balance between functionality and environmental responsibility in modern chemical research. As we continue to explore and synthesize such compounds, keeping an eye on their overall impact is crucial for sustainable development.

Synonyms
OXYPHENONIUM BROMIDE
50-10-2
Spasmophen
Oxifenon
Oxyfenon
Oxyphenon
ANTRENYL
Subranyl
Antrenyl bromide
Antrenil
Bromuro de oxifenonio
Bromure d'oxyphenonium
Oxyphenoniumbromide
BA-5473
Oxyphenonii bromidum
Oxyphenonium (bromide)
EINECS 200-010-7
UNII-S9421HWB3Z
NSC-759248
S9421HWB3Z
DTXSID4045632
Oxyphenonii bromidum [INN-Latin]
Bromure d'oxyphenonium [INN-French]
Bromuro de oxifenonio [INN-Spanish]
C 5473
MLS000028620
DTXCID2025632
C-5473
(+/-)-OXYPHENONIUM BROMIDE
2-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxyethyl-diethyl-methylazanium;bromide
Diethyl(2-hydroxyethyl)methylammonium bromide alpha-phenylcyclohexaneglycolate
Oxyphenonium ?romide
Ethanaminium, 2-((cyclohexylhydroxyphenylacetyl)oxy)-N,N-diethyl-N-methyl-, bromide
SMR000058660
Oxyphenonium bromide (INN)
Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, alpha-phenylcyclohexaneglycolate
Oxyphenonii bromidum (INN-Latin)
OXYPHENONIUM BROMIDE [INN]
Bromure d'oxyphenonium (INN-French)
Bromuro de oxifenonio (INN-Spanish)
OXYPHENONIUM BROMIDE (MART.)
OXYPHENONIUM BROMIDE [MART.]
CAS-50-10-2
ETHANAMINIUM, 2-((2-CYCLOHEXYL-2-HYDROXY-2-PHENYLACETYL)OXY)-N,N-DIETHYL-N-METHYL-, BROMIDE (1:1)
Oxyphenonium bromide [INN:BAN]
NCGC00018256-02
Antrenyl (TN)
oxyphenonium bromatum
Bromide, Oxyphenonium
oxyphAnonium (cation)
Opera_ID_1635
REGID_for_CID_5748
MLS001076268
MLS001424168
SCHEMBL248890
CHEMBL1200906
A03AB03
OXYPHENONIUM BROMIDE [MI]
UKLQXHUGTKWPSR-UHFFFAOYSA-M
HMS2052O07
HMS2230J18
HMS3371M04
HMS3394O07
Pharmakon1600-01505783
OXYPHENONIUM BROMIDE [VANDF]
Tox21_110851
MFCD00050259
NSC759248
OXYPHENONIUM BROMIDE [WHO-DD]
AKOS030507607
Tox21_110851_1
CCG-101094
CCG-213986
NC00344
NCGC00018256-06
DA-56522
OXYPHENONIUM BROMIDE [ORANGE BOOK]
TS-08774
NS00078915
D06877
EN300-122608
SR-01000003140
Q7116109
SR-01000003140-4
Z1544404024
{2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxy]ethyl}diethylmethylazanium bromide
2-([Cyclohexylhydroxyphenylacetyl]oxy)-N,N-diethyl-N-methylethanaminium bromide
2-(2-cyclohexyl-2-hydroxy-2-phenylacetoxy)-N,N-diethyl-N-methylethan-1-aminium bromide
DIETHYL(2-HYDROXYETHYL)METHYLAMMONIUM BROMIDE .ALPHA.-PHENYLCYCLOHEXANEGLYCOLATE
200-010-7