Denatonium benzoate

• Catalog Number: ACM3734336
• CAS: 3734-33-6
• IUPAC Name: Benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium;benzoate
• Synonyms: Benzenemethanaminium, N-(2-((2,6-dimethylphenyl)amino)-2-oxoethyl)-N,N-diethyl-, benzoate
• Molecular Weight: 446.58
• Molecular Formula: C28H34N2O3
• Canonical SMILES: CC[N+](CC)(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2C)C.C1=CC=C(C=C1)C(=O)[O-]
• InChI: VWTINHYPRWEBQY-UHFFFAOYSA-N
• InChI Key: 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)
• Boiling Point: 556 °C
• Melting Point: 164-168 °C(lit.)
• Density: 1.23g/ml
• Appearance: White crystalline
• Actives: 95%
• Physical State: Solid
• Typical Applications: Use as antistatic agent.; Use as emulsifying agent, dispersing agent.