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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:
Molecular Weight:
448.08
UNSPSC Code:
12161900
NACRES:
NA.25
PubChem Substance ID:
EC Number:
204-479-9
Beilstein/REAXYS Number:
3898548
MDL number:
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description

cationic

Quality Segment

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)

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

General description

The benzethonium chloride is a well characterized skin irritant and rare sensitizer. [1]

Application

Benzethonium chloride has been used in a study to assess the minimum inhibitory concentrations of meticillin-resistant Staphylococcus aureus (MRSA) isolates from Malaysia. [2] It has also been used in a study to prepare biocomposite films from sodium alginate and modified clay. [3]

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.

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This Item
53751PHR1425B0550000
form

powder

form

(Powder, Colorless or White)

form

-

form

-

assay

≥97% (titration), ≥98% (HPLC)

assay

≥99.0% (AT)

assay

-

assay

-

application(s)

microbiology (topical antiseptic)

application(s)

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

application(s)

pharmaceutical (small molecule)

application(s)

pharmaceutical (small molecule)

solubility

H2O: 100 mg/mL, clear, colorless

solubility

H2O: 0.1 M at 20 °C, clear, colorless

solubility

-

solubility

-

mp

162-164 °C (lit.)

mp

162-164 °C (lit.)

mp

162-164 °C (lit.)

mp

162-164 °C (lit.)

mol wt

448.08 g/mol

mol wt

448.08 g/mol

mol wt

-

mol wt

-


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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

ppe

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



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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
Hongwei Du et al.
Journal of colloid and interface science, 340(2), 202-208 (2009-09-29)
A series of highly water-soluble organo-silica nanoparticles, ranging from 2 to 10nm in diameter, were synthesized by the cohydrolysis and copolycondensation reactions. omega-methoxy(polyethyleneoxy)propyltrimethoxysilane (PEG6-9) and hydroxymethyltriethoxysilane (HMTEOS) mixtures were catalyzed by sodium hydroxide in the presence of surfactant benzethonium chloride
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



Global Trade Item Number

SKUGTIN
B8879-100G04061833443323
B8879-500G04061835542987
B8879-250G04061835542970

Questions

1–2 of 2 Questions  
  1. How can I determine the shelf life / expiration / retest date of this product?

    1 answer
    1. If this product has an expiration or retest date, it will be shown on the Certificate of Analysis (COA, CofA). If there is no retest or expiration date listed on the product's COA, we do not have suitable stability data to determine a shelf life. For these products, the only date on the COA will be the release date; a retest, expiration, or use-by-date will not be displayed.
      For all products, we recommend handling per defined conditions as printed in our product literature and website product descriptions. We recommend that products should be routinely inspected by customers to ensure they perform as expected.
      For products without retest or expiration dates, our standard warranty of 1 year from the date of shipment is applicable.
      For more information, please refer to the Product Dating Information document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/418/501/product-dating-information-06-25-mk.pdf

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  2. How is shipping temperature determined? And how is it related to the product storage temperature?

    1 answer
    1. Products may be shipped at a different temperature than the recommended long-term storage temperature. If the product quality is sensitive to short-term exposure to conditions other than the recommended long-term storage, it will be shipped on wet or dry-ice. If the product quality is NOT affected by short-term exposure to conditions other than the recommended long-term storage, it will be shipped at ambient temperature. As shipping routes are configured for minimum transit times, shipping at ambient temperature helps control shipping costs for our customers. For more information, please refer to the Storage and Transport Conditions document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/316/622/storage-transport-conditions-mk.pdf

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