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53751

Sigma-Aldrich

Benzethonium chloride

BioUltra, ≥99.0% (AT)

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
Beilstein:
3898548
EC Number:
204-479-9
MDL number:
MFCD00011742
UNSPSC Code:
12161900
PubChem Substance ID:
57651440
NACRES:
NA.25

description

cationic

Quality Level

100

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(OCCOCC[N+](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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General description

The 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.

Disclaimer

The product is not intended foruse as a biocide under global biocide regulations, including but not limited toUS EPA′s Federal Insecticide Fungicide and Rodenticide Act, European BiocidalProducts Regulation, Canada’s Pest Management Regulatory Agency, Turkey’sBiocidal Products Regulation, Korea’s Consumer Chemical Products and BiocideSafety Management Act (K-BPR) and others.

Signal Word

Danger

Hazard Statements

H301,H314,H410

Hazard Classifications

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

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 2

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Naoto Kojima et al.
Bioorganic & medicinal chemistry, 18(24), 8630-8641 (2010-11-16)
The convergent synthesis of fluorescence-labeled solamin, an antitumor Annonaceous acetogenin, was accomplished by two asymmetric alkynylations of 2,5-diformyl tetrahydrofuran with an alkyne tagged with fluorescent groups and another alkyne with an α,β-unsaturated γ-lactone. Assay for the growth inhibitory activity against
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
Brandon Findlay et al.
Bioorganic & medicinal chemistry letters, 22(4), 1499-1503 (2012-01-31)
Here we present a proof-of-concept study, combining two known antimicrobial agents into a hybrid structure in order to develop an emergent cationic detergent-like interaction with the bacterial membrane. Six amphiphilic conjugates were prepared by copper (I)-catalyzed 1,3-dipolar cycloaddition between a
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
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
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