Denatonium benzoate

Datasheet MSDS
Catalog Number
RP0006
Product Name
Denatonium benzoate
Structure
Denatonium benzoate
CAS Number
3734-33-6
Synonyms
benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium benzoate
Molecular Formula
C28H34N2O3
Molecular Weight
446.58
Appearance
White solid or clear solution
Purity
≥95%
Melting Point
164-168°C
Storage
Store at 2-8°C
Description
Denatonium benzoate is a stimulant of the bitter taste receptors used as an aversive agent (bitterant) to prevent inappropriate ingestion. It is used in denatured alcohol, antifreeze, nail biting preventions, respirator mask fit-testing, animal repellents, liquid soaps, and shampoos.
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
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
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