D5765

Denatonium benzoate

≥98%

• Synonyme(s) : N,N-Diethyl-N-[(2,6-dimethylphenyl­carbamoyl)­methyl]­benzyl­ammonium benzoate, Benzyldiethyl(2,6-xylyl­carbamoyl­methyl)­ammonium benzoate, THS 839
• Formule linéaire : C₂₁H₂₉N₂O · C₇H₅O₂
• Numéro CAS: 3734-33-6
• Poids moléculaire : 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

Propriétés

• Quality Segment: 100
• assay: ≥98%
• form: powder
• mp: 164-168 °C (lit.)
• functional group: amide, amine, phenyl
• 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

Description

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).

Informations sur la sécurité

• Pictogrammes: GHS06,GHS05
• Mot-clé: Danger
• Codes de danger: H302,H318,H330
• Mentions de précaution: P260 - P264 - P280 - P301 + P312 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 2 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1
• Classe de stockage: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• WGK: WGK 2
• Point d'éclair (°F): 212.0 °F - closed cup
• Point d'éclair (°C): 100 °C - closed cup
• EPI (équipement de protection individuelle): dust mask type N95 (US), Eyeshields, Gloves