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498-77-1

498-77-1 Structure

498-77-1 Structure
IdentificationBack Directory
[Name]

BENZETHONIUM HYDROXIDE
[CAS]

498-77-1
[Synonyms]

BENZETHONIUM HYDROXIDE
benzethonium hydroxide solution
BENZETHONIUM HYDROXIDE SOLUTION, ~1.0 M IN METHANOL
[Molecular Formula]

C27H42NO2+
[MDL Number]

MFCD00133119
[MOL File]

498-77-1.mol
[Molecular Weight]

412.63
Chemical PropertiesBack Directory
[Fp ]

11 °C
[storage temp. ]

2-8°C
[form ]

liquid
[BRN ]

3915309
[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
[InChIKey]

USLZJBWCHRRIAQ-UHFFFAOYSA-M
[SMILES]

[OH-].CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1
Safety DataBack Directory
[Hazard Codes ]

F,T
[Risk Statements ]

11-23/24/25-34-39/23/24/25-35
[Safety Statements ]

7-16-26-36/37/39-45
[RIDADR ]

UN 3286 3/PG 2
[WGK Germany ]

1
[F ]

3
[Storage Class]

3 - Flammable liquids
[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
Hazard InformationBack Directory
[Uses]

Benzethonium hydroxide solution is a solution used in scintillation experiments.
[Biological Activity]

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. Henceit is used in carbon urea breath test.
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