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Merck
CN

B2156

Benzethonium hydroxide solution

~1.0 M in methanol (by HCl titration)

Synonym(s):

Benzethonium, Benzethonium Hydroxide

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About This Item

Empirical Formula (Hill Notation):
C27H43NO3
CAS Number:
498-77-1
Molecular Weight:
429.64
MDL number:
MFCD29073709
UNSPSC Code:
12161900
PubChem Substance ID:
24891633
NACRES:
NA.25
Beilstein/REAXYS Number:
3915309

Key Documents

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SMILES string

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

InChI

1S/C27H42NO2.H2O/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;1H2/q+1;/p-1

InChI key

USLZJBWCHRRIAQ-UHFFFAOYSA-M

description

cationic

form

liquid

mol wt

429.64 g/mol

concentration

~1.0 M in methanol (by HCl titration)

technique(s)

microbiological culture: suitable

storage temp.

2-8°C

Quality Level

200

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Application

Benzethonium hydroxide solution has been used for the trapping of 14CO2. Benzethonium hydroxide is suitable to evaluate the kinetics of 14carbon dioxide (14CO2) excretion by oral commensal flora to theoretically propose optimum breath collection timings for 14C urea breath test.

Biochem/physiol Actions

Benzethonium is a cationic of quaternary ammonium salt consisting of diisobutylphenoxyethoxyethyl dimethyl-benzyl ammonium compound. It possess antimicrobial and antiseptic functionalities. Benzethonium hydroxide conversion to carbamate in the presence of exhaled carbon dioxide results in colour change. Hence, it is used in carbon urea breath test.

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Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Eye Dam. 1 - Flam. Liq. 2 - Skin Corr. 1B - STOT SE 1

target_organs

Eyes,Central nervous system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

51.8 °F - closed cup

flash_point_c

11 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
0000520823
0000520823
0000435785
0000435785
SLCM0554

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Pharmaceutical interference with the [14C] carbon urea breath test for the detection of Helicobacter pylori infection
Abrams DN, et al.
J. Pharm. Pharm. Sci., 3(2), 228-233 (2000)
Influence of the anions on the N-cationic benzethonium salts in the solid state and solution: Chloride, bromide, hydroxide and citrate hydrates
Paradies HH and Reichelt H
AIP Advances, 6(6), 065322-065322 (2016)
Wnt-induced activation of glucose metabolism mediates the in vivo neuroprotective roles of Wnt signaling in Alzheimer disease
Cisternas P, et al.
Journal of Neurochemistry, 149, 54?72-54?72 (2018)
Kinetics of 14carbon dioxide excretion from 14C-urea by oral commensal flora
Pathak CM, et al.
Journal of gastroenterology and hepatology, 23(10), 1603-1607 (2008)
Measurements of glucose conversion to its metabolites
Adipose Tissue Protocols, 181-192 (2001)
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