Denatonium benzoate CAS 3734-33-6
Identification
CAS Number
3734-33-6
Name
Denatonium benzoate
Synonyms
Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, benzoate
Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, benzoate (1:1)
Benzoate de N-benzyl-2-[(2,6-diméthylphényl)amino]-N,N-diéthyl-2-oxoéthanaminium
Benzyldiethyl[(2,6-xylylcarbamoyl)methyl]ammonium benzoate
denatonium benzoate
N-Benzyl-2-[(2,6-dimethylphenyl)amino]-N,N-diethyl-2-oxoethanaminium benzoate
N-Benzyl-2-[(2,6-dimethylphenyl)amino]-N,N-diethyl-2-oxoethanaminiumbenzoat
((2,6-Xylylcarbamoyl)methyl)diethyl benzyl ammonium benzoate
Ammonium, benzyldiethyl((2,6-xylylcarbamoyl)methyl)-, benzoate
Benzenemethanaminium, N-(2-((2,6-dimethylphenyl)amino)-2-oxoethyl)-N,N-diethyl-, benzoate
Benzoate de denatonium
Benzoato de denatonio
Benzyl-[(2,6-dimethylphenylcarbamoyl)methyl]diethylammonium benzoate
BENZYLDIETHYL((2,6-XYLYLCARBAMOYL)METHYL)AMMONIUM BENZOATE
Benzyldiethyl(2,6-xylyl- carbamoyl- methyl)- ammonium benzoate
Denatonii benzoas
denatoniumbenzoate
Gori
N-(2-((2,6-Dimethylphenyl)amino)-2-oxoethyl)-N,N-diethylbenzeneme- thanaminium benzoate
N,N-Diethyl-N-[(2,6-dimethylphenyl- carbamoyl)- methyl]- benzyl- ammonium benzoate
Molecular Structure
SMILES
O=C(Nc1c(cccc1C)C)C[N+](Cc2ccccc2)(CC)CC.[O-]C(=O)c1ccccc1
StdInChI
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)
StdInChIKey
VWTINHYPRWEBQY-UHFFFAOYSA-N
MDL Number
MFCD00031578
Beilstein Registry Number
8179408
EINECS
223-095-2
Molecular Formula
C21H29N2O.C7H5O2;C28H34N2O3
Molecular Weight
446.59
Properties
Appearance
White powder
Melting Point
163-170℃
Safety Data
Symbol
GHS07
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Codes (Europe)
Risk Statements (Europe)
Safety Statements (Europe)
26-36
WGK Germany
2
RTECS
BO6650000
Specifications and Other Information of Our Denatonium benzoate CAS 3734-33-6
Standard
USP34
Identification Methods
IR, HPLC
Assay
99.5-101.0%
PH
6.5-7.5
Loss on Drying
1.0% max
Residue on Ignition
0.1% max
Chloride
0.2% max
Package
Pasteboard barrel
Known Use
The product is the world’s bitterest known substance, added as little as thirty parts to one million parts of a liquid to make it too bitter to be tolerated by most humans, which can effectively prevent children’s swallow. Because of its bitterness, it is commonly added to household items and outdoor products to prevent accidental poisonings.
HS Number
2924299800
Watson-Int Link
http://watson-int.com/Denatonium-Benzoate_CAS_3734-33-6.html