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53751

Sigma-Aldrich

Benzethonium chloride

BioUltra, ≥99.0% (AT)

Synonyme(s) :

(Diisobutylphenoxyethoxyethyl)dimethylbenzylammonium chloride, Phemerol chloride

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About This Item

Formule empirique (notation de Hill):
C27H42ClNO2
Numéro CAS:
121-54-0
Poids moléculaire :
448.08
Numéro Beilstein :
3898548
Numéro CE :
204-479-9
Numéro MDL:
MFCD00011742
Code UNSPSC :
12161900
ID de substance PubChem :
57651440
Nomenclature NACRES :
NA.25

Description

cationic

Gamme de produits

BioUltra

Pureté

≥99.0% (AT)

Poids mol.

448.08 g/mol

Impuretés

insoluble matter, passes filter test
≤5% water

pH

5.5-7.5 (25 °C, 0.1 M in H2O)

Pf

162-164 °C (lit.)

Solubilité

H2O: 0.1 M at 20 °C, clear, colorless

Traces d'anions

sulfate (SO42-): ≤50 mg/kg

Traces de cations

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

Chaîne SMILES 

[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

Clé InChI

UREZNYTWGJKWBI-UHFFFAOYSA-M

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Catégories apparentées

Description générale

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.

Clause de non-responsabilité

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.

Pictogrammes

Skull and crossbonesCorrosionEnvironment
GHS06,GHS05,GHS09

Mention d'avertissement

Danger

Mentions de danger

H301,H314,H410

Classification des risques

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

Code de la classe de stockage

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

Classe de danger pour l'eau (WGK)

WGK 2

Équipement de protection individuelle

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

Certificats d'analyse (COA)

Recherchez un Certificats d'analyse (COA) en saisissant le numéro de lot du produit. Les numéros de lot figurent sur l'étiquette du produit après les mots "Lot" ou "Batch".

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Consulter la Bibliothèque de documents

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
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
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
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
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