53751

Sigma-Aldrich

Benzethonium chloride

BioUltra, ≥99.0% (AT)

Synonym(s):
Phemerol chloride, (Diisobutylphenoxyethoxyethyl)dimethylbenzylammonium chloride
Empirical Formula (Hill Notation):
C27H42ClNO2
CAS Number:
Molecular Weight:
448.08
Beilstein/REAXYS Number:
3898548
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.25
Pricing and availability is not currently available.

Quality Level

description

cationic

product line

BioUltra

assay

≥99.0% (AT)

mol wt

448.08 g/mol

impurities

insoluble matter, passes filter test
≤5% water

pH

5.5-7.5 (25 °C, 0.1 M in H2O)

mp

162-164 °C (lit.)

solubility

H2O: 0.1 M at 20 °C, clear, colorless

anion traces

sulfate (SO42-): ≤50 mg/kg

cation traces

Al: ≤5 mg/kg
Ba: ≤5 mg/kg
Bi: ≤5 mg/kg
Ca: ≤10 mg/kg
Cd: ≤5 mg/kg
Co: ≤5 mg/kg
Cr: ≤5 mg/kg
Cu: ≤5 mg/kg
Fe: ≤5 mg/kg
K: ≤50 mg/kg
Li: ≤5 mg/kg
Mg: ≤5 mg/kg
Mn: ≤5 mg/kg
Mo: ≤5 mg/kg
Na: ≤50 mg/kg
Ni: ≤5 mg/kg
Pb: ≤5 mg/kg
Sr: ≤5 mg/kg
Zn: ≤5 mg/kg

absorption

cut-off at 300 nm in H2O at 0.1 M

SMILES string

Cl-.CC(C)(C)CC(C)(C)c1ccc(OCCOCCN+(C)(C)Cc2ccccc2)cc1

InChI

1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1

InChI key

UREZNYTWGJKWBI-UHFFFAOYSA-M

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Related Categories

General description

The cationic detergent benzethonium chloride is a well characterized skin irritant and rare sensitizer.

Application

Benzethonium chloride has been used in a study to assess the minimum inhibitory concentrations of meticillin-resistant Staphylococcus aureus (MRSA) isolates from Malaysia. It has also been used in a study to prepare biocomposite films from sodium alginate and modified clay.

Signal Word

Danger

Hazard Statements

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Hazard Codes

C,N

Risk Statement

22-34-50/53

Safety Statement

26-36/37/39-45-61

RIDADR

UN 2923 6.1(8) / PGIII

WGK Germany

WGK 2

Certificate of Analysis
Certificate of Origin
Michael J Orsini et al.
Journal of medicinal chemistry, 50(3), 462-471 (2007-02-03)
Metastin, also known as KiSS-1, the cognate ligand for the metastin receptor GPR54, is a peptide known to dramatically reduce metastasis in experimental models. Despite this, there is no reported structure for metastin nor any small molecule modulators of metastin...
T Ichikawa et al.
Journal of dentistry, 36(11), 965-968 (2008-09-10)
The purpose of this study was to evaluate if the sugar alcohols erythritol, xylitol and sorbitol enhance the fungicidal effect of benzethonium chloride (BTC) toward in vitro candidal biofilms. An in vitroCandida albicans biofilm was formed on a plastic coverslip...
Somer Bekiroglu et al.
Journal of pharmaceutical and biomedical analysis, 47(4-5), 958-961 (2008-05-06)
A 1H-nuclear magnetic resonance (NMR) spectroscopy method for quantitative determination of benzethonium chloride (BTC) as a constituent of grapefruit seed extract was developed. The method was validated, assessing its specificity, linearity, range, and precision, as well as accuracy, limit of...
Sebastian Braun et al.
Anesthesia and analgesia, 111(6), 1389-1393 (2010-10-05)
Ketamine has been demonstrated to be neurotoxic in animals as well as in patients. Preservatives added to ketamine have been accused to induce this neurotoxicity. Therefore, we investigated whether the most widely used preservative of ketamine-benzethonium chloride-enhances the toxicity of...
Paul Abu-Rabie et al.
Analytical chemistry, 81(24), 10275-10284 (2009-11-19)
The CAMAG thin-layer chromatography mass spectrometer (TLC-MS) interface has been assessed as a tool for the direct quantitative bioanalysis of drugs from dried blood spot (DBS) samples, using an MS detector, with or without high-performance liquid chromatography (HPLC) separation. The...

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