B2156

Benzethonium hydroxide solution

~1.0 M in methanol (by HCl titration)

• Synonym(s): Benzethonium, Benzethonium Hydroxide
• 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

Properties

• description: cationic
• Quality Segment: 200
• 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
• 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

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.

Safety Information

• pictograms: GHS02,GHS06,GHS08,GHS05
• signalword: Danger
• hcodes: H225,H301 + H311 + H331,H314,H370
• pcodes: P210 - P233 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• 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