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Merck

B8879

Benzethonium chloride

≥97% (titration), ≥98% (HPLC)

Synonym(s):

(Diisobutylphenoxyethoxyethyl)dimethylbenzylammonium chloride, Phemerol chloride

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About This Item

Empirical Formula (Hill Notation):
C27H42ClNO2
CAS Number:
121-54-0
Molecular Weight:
448.08
UNSPSC Code:
12161900
NACRES:
NA.25
PubChem Substance ID:
24892101
EC Number:
204-479-9
Beilstein/REAXYS Number:
3898548
MDL number:
MFCD00011742

Key Documents

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Product Name

Benzethonium chloride, ≥97% (titration), ≥98% (HPLC)

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

SMILES string

[Cl-].CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1

description

cationic

assay

≥97% (titration)
≥98% (HPLC)

form

powder

mol wt

448.08 g/mol

mp

162-164 °C (lit.)

solubility

H2O: 100 mg/mL, clear, colorless

application(s)

microbiology (topical antiseptic)

Quality Level

200

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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.

Disclaimer

The product is not intended for use as a biocide under global biocide regulations, including but not limited to US EPA′s Federal Insecticide Fungicide and Rodenticide Act, European Biocidal Products Regulation, Canada’s Pest Management Regulatory Agency, Turkey’s Biocidal Products Regulation, Korea’s Consumer Chemical Products and Biocide Safety Management Act (K-BPR) and others.

General description

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

signalword

Danger

Hazard Classifications

Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Skin Corr. 1B

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 2

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

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Certificates of Analysis (COA)

Lot/Batch Number
0000517915
0000517915
0000517917
0000517917
0000499650

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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
Jacob Pitaro et al.
The Laryngoscope, 123(10), 2521-2525 (2013-08-07)
To determine the ototoxic potential of aluminum acetate (0.5%)/benzethonium chloride (0.03%) otic solution in the chinchilla animal model. A randomized, prospective, controlled study was conducted in the chinchilla animal model. Fourteen female chinchillas were used. After an incision was made
Naoto Kojima et al.
Bioorganic & medicinal chemistry letters, 18(24), 6451-6453 (2008-11-11)
C4-Fluorinated analogues of solamin, an antitumor acetogenin, were synthesized and investigated for their antitumor activities against 39 tumor cell lines. C4-Fluorinated solamins showed more potent growth inhibitory activity against cancer cell lines than solamin.
Filiz Tezcan et al.
International journal of biological macromolecules, 50(4), 1165-1168 (2012-01-25)
Sodium alginate/sodium montmorillonite hybrid films were prepared by casting from the suspension of sodium alginate and different clay samples. Clay samples had been modified with a cationic surfactant, a cationic polymer, and a small polar molecule, respectively. Benzethonium chloride, polyethyleneimine
Elisabeth Lang et al.
Cellular physiology and biochemistry : international journal of experimental cellular physiology, biochemistry, and pharmacology, 28(2), 347-354 (2011-08-26)
Benzethonium, an antimicrobial surfactant widely used as preservative of pharmaceuticals, topical wound care product and oral disinfectant, triggers apoptosis of several cell types. The apoptosis is preceded and possibly triggered by mitochondrial depolarization. Even though lacking mitochondria, erythrocytes may similarly
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