Skip to Content
Merck
CN

53751

Benzethonium chloride

BioUltra, ≥99.0% (AT)

Synonym(s):

(Diisobutylphenoxyethoxyethyl)dimethylbenzylammonium chloride, Phemerol chloride

Sign In to View Organizational & Contract Pricing.

Select a Size

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:
57651440
EC Number:
204-479-9
Beilstein/REAXYS Number:
3898548
MDL number:
MFCD00011742

Key Documents

View All Documentation
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

Product Name

Benzethonium chloride, BioUltra, ≥99.0% (AT)

Quality Level

100

InChI key

UREZNYTWGJKWBI-UHFFFAOYSA-M

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

SMILES string

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

description

cationic

product line

BioUltra

assay

≥99.0% (AT)

form

(Powder, Colorless or White)

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

application(s)

(Pharmaceuticals/personal care)
(Pharmaceuticals/personal care)

Looking for similar products? Visit Product Comparison Guide

Related Categories

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.

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

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

wgk

WGK 2

ppe

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

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
0000477262
0000477262
0000424013
0000424013
0000424033

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

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
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.
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
Celia Conesa et al.
Stem cell reviews, 8(1), 116-127 (2011-05-28)
A potential application of embryonic and inducible pluripotent stem cells for the therapy of degenerative diseases involves pure somatic cells, free of tumorigenic undifferentiated embryonic and inducible pluripotent stem cells. In complex collections of chemicals with pharmacological potential we expect
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
View All Related Papers

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service