D5765

Denatonium benzoate

≥98%

• Synonyma: N,N-Diethyl-N-[(2,6-dimethylphenyl­carbamoyl)­methyl]­benzyl­ammonium benzoate, Benzyldiethyl(2,6-xylyl­carbamoyl­methyl)­ammonium benzoate, THS 839
• Lineární vzorec: C₂₁H₂₉N₂O · C₇H₅O₂
• Číslo CAS: 3734-33-6
• Molekulová hmotnost: 446.58
• UNSPSC Code: 12352100
• NACRES: NA.22
• PubChem Substance ID: 57654112
• EC Number: 223-095-2
• Beilstein/REAXYS Number: 8179408
• MDL number: MFCD00031578
• Assay: ≥98%
• Form: powder

Vlastnosti

• Quality Segment: 100
• assay: ≥98%
• form: powder
• mp: 164-168 °C (lit.)
• SMILES string: [O-]C(=O)c1ccccc1.CC[N+](CC)(CC(=O)Nc2c(C)cccc2C)Cc3ccccc3
• InChI: 1S/C21H28N2O.C7H6O2/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4;8-7(9)6-4-2-1-3-5-6/h7-14H,5-6,15-16H2,1-4H3;1-5H,(H,8,9)
• InChI key: VWTINHYPRWEBQY-UHFFFAOYSA-N

Popis

General description

Denatonium benzoate (DB) is an ionized compound made up of a negatively charged benzoic acid and quaternary ammonium cation (denatonium). It is used as an alcohol denaturant and flavor in pharmaceuticals. Additionally, used in products like soap, animal repellents, antifreeze.

Application

Denatonium benzoate is used:

• To prepare anti-gnawing bio-polymer composites using zinc stearate (ZnSt) and capsicum oleoresin (CO) impregnated in silica (SiCO) and polybutylene succinate(PBS).

Bezpečnostní informace

• pictograms: GHS06,GHS05
• signalword: Danger
• hcodes: H302,H318,H330
• pcodes: P260 - P264 - P280 - P301 + P312 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 2 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1
• Skladovací třída: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• wgk: WGK 2
• flash_point_f: 212.0 °F - closed cup
• flash_point_c: 100 °C - closed cup
• ppe: dust mask type N95 (US), Eyeshields, Gloves