CAS 3734-33-6

Denatonium benzoate

Description:

Denatonium benzoate, with the CAS number 3734-33-6, is a highly bitter compound often used as a bittering agent in various products to deter ingestion. It is the most bitter known substance, with a taste threshold so low that even minute quantities can impart a strong bitterness. This characteristic makes it valuable in preventing accidental poisoning, particularly in household products like antifreeze, cleaning agents, and personal care items. Chemically, denatonium benzoate is a quaternary ammonium salt derived from the combination of benzoic acid and a specific amine. It is typically soluble in water and organic solvents, which allows for versatile applications. The compound is generally regarded as safe for use in low concentrations, although it can cause irritation upon contact with skin or eyes. Its effectiveness as a deterrent is widely recognized, making it an essential ingredient in formulations aimed at reducing the risk of accidental ingestion, especially in environments where children or pets may be present.

Formula: C₂₈H₃₄N₂O₃

InChI: InChI=1/C21H28N2O.C7H6O2.H2O/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);1H2

InChI key: InChIKey=VWTINHYPRWEBQY-UHFFFAOYSA-N

SMILES: [N+](CC1=CC=CC=C1)(CC(NC2=C(C)C=CC=C2C)=O)(CC)CC.C([O-])(=O)C1=CC=CC=C1

Synonyms:

• Ammonium, benzyldiethyl[(2,6-xylylcarbamoyl)methyl]-, benzoate
• Anispray
• Aversion
• 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 denatonium
• Benzoate, Benzenemethanaminium,N-[2-[(2,6-Dimethylphenyl)Amino]-2-Oxoethyl]-N,N-Diethyl-,
• Benzoato De Denatonio
• Benzyl diethyl ((2,6-xylylcarbamoyl)methyl) ammonium benzoate
• Benzyl-Diaethyl-((N-(2,6-Xylyl)-Carbamoyl)-Methyl-Ammonium-Benzoat
• Benzyldiethyl (2,6-Xylylcarbamoylmethyl)-Ammonium
• Benzyldiethyl((2,6, xylyl carbamoyl)methyl) ammonium benzoate
• Benzyldiethyl[(2,6-Xylylcarbamoyl)Methyl]Ammonium Benzoate
• Bitrex
• Bitrex Denatonium Benzoate
• Bitterant Bitrex PG
• Denatoniumbenzoat
• Denatoniumbenzoate,96%
• Ecx 95By
• Gori
• Lignocaine benzyl benzoate
• N-[2-(2,6-Dimethylphenyl)amino]-2-oxoethyl]-N,N-diethylbenzenemethanaminium benzoate
• N-[2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl(phenylmethyl)ammonium 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-oxoethanaminium benzoate hydrate (1:1:1)
• Nsc 157658
• Ths 839
• Win 16568
• BENZYLDIETHYL[(2,6-DIMETHYLPHENYLCARBAMOYL)METHYL]AMMONIUM BENZOATE
• ,benzoate
• BENZYLDIETHYL [(2,6-XYLYLCARBAMOYL)-AMMONIUM] BENZOATE
• LABOTEST-BB LT00453200
• n-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-n,n-diethyl-benzenemethanaminiu
• REJEXIT (R)
• N,N-DIETHYL-N-[(2,6-DIMETHYLPHENYLCAR-BAMOYL)METHYL]BENZYLAMMONIUM BENZOATE
• benzyldiethyl(2,6-xylylcarbamoylmethyl)ammonium benzoate
• BITREX (TM)
• N-[2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-benzenemethanaminium benzoate
• BENZYL-[(2,6-DIMETHYLPHENYLCARBAMOYL)METHYL]DIETHYLAMMONIUM BENZOATE
• AMMONIUM, BENZYLDIETHYL((2,6-XYLYCARBAMOYL)METHYL), BENZOATE
• benzyldiethyl((2,6-xylylcarbamoyl)methyl)-ammoniubenzoate
• denatonium
• BITREX(R)
• denatoniumbenzoate,anhydrous

Denatonium Benzoate

CAS: 3734-33-6

Formula: C₂₈H₃₄N₂O₃

Purity: >98.0%(HPLC)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 446.59

Ref: 3B-D2124

Denatonium Benzoate

CAS: 3734-33-6

Aromatic cyclic amides (including cyclic carbamates) and their derivatives; salts thereof, nesoi

Formula: C₂₁H₂₉N₂O·C₇H₅O₂

Color and Shape: White Crystalline Powder

Molecular weight: 446.59

Ref: 45-1171003

Denatonium benzoate

CAS: 3734-33-6

Denatonium benzoate

Formula: C₂₈H₃₄N₂O₃

Purity: ≥98%

Color and Shape: Solid

Molecular weight: 446.58

Ref: 54-BUP19623

Benzenemethanaminium, N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, benzoate (1:1)

CAS: 3734-33-6

Formula: C₂₈H₃₄N₂O₃

Purity: 95%

Color and Shape: Solid

Molecular weight: 446.5812

Ref: IN-DA00I7CS

Denatonium benzoate

CAS: 3734-33-6

Denatonium benzoate, a salt with an inert anion, resembles lidocaine but has a benzyl group on its amino nitrogen.

Formula: C₂₈H₃₄N₂O₃

Purity: 99.87% - 99.98%

Color and Shape: Solid

Molecular weight: 446.58

Ref: TM-T1098

Denatonium benzoate

CAS: 3734-33-6

Formula: C₂₁H₂₉N₂O·C₇H₅O₂

Purity: ≥ 98.0% (dried basis)

Color and Shape: White or almost white powder

Molecular weight: 446.59

Ref: 7W-GE9090

Denatonium benzoate, USP grade

CAS: 3734-33-6

Formula: C₂₁H₂₉N₂O·C₇H₅O₂

Purity: 99.5 - 101.0 %

Color and Shape: White powder

Molecular weight: 446.59

Ref: 7W-GE0111

Denatonium benzoate

CAS: 3734-33-6

Denatonium benzoate

Formula: C₂₁H₂₉N₂O·C₆H₅CO₂

Purity: 99%

Color and Shape: Solid

Molecular weight: 446.58115

Ref: 54-OR50488

Bitrex

Controlled Product

CAS: 3734-33-6

Formula: C₂₁H₂₉N₂O·C₇H₅O₂

Color and Shape: Neat

Molecular weight: 446.58

Ref: 04-C10661000

Denatonium Benzoate

CAS: 3734-33-6

Formula: C₂₁H₂₉N₂O·C₇H₅O₂

Molecular weight: 325.48 121.12

Ref: 4Z-D-303001

Denatonium benzoate

CAS: 3734-33-6

N-Benzyl-2-((2,6-dimethylphenyl)amino)-N,N-diethyl-2-oxoethanaminium benzoate

Formula: C₂₈H₃₄N₂O₃

Purity: 99%

Molecular weight: 446.58

Ref: IN-DG123753

Denatonium benzoate, granules

CAS: 3734-33-6

Formula: C₂₁H₂₉N₂O·C₇H₅O₂

Purity: ≥ 98.0% (dried basis)

Color and Shape: White or almost white granules

Molecular weight: 446.59

Ref: 7W-GE7887

Denatonium Benzoate

CAS: 3734-33-6

Applications Denatonium Benzoate is a stimulant of the bitter taste receptors and therefore is used in products for the purpose of reducing or preventing consumption of potentially harmful and toxic substances.
References Hansen, S.R., et al.: Vet. Hum. Toxicol., 35, 234 (1993);

Formula: C₂₁H₂₉N₂O·C₇H₅O₂

Color and Shape: Neat

Molecular weight: 446.58

Ref: TR-D231660

Denatonium benzoate

CAS: 3734-33-6

Denatonium benzoate is a bitter-tasting chemical that is used as an analytical reagent in wastewater treatment. It has been shown to be toxic at high concentrations, but its toxicity can be reduced by the addition of denatonium benzoate to drugs in order to make them unpalatable. Denatonium benzoate has also been studied for its physiological effects on humans, including its effect on cytosolic calcium levels and chronic cough.

Formula: C₂₁H₂₉N₂O·C₇H₅O₂

Color and Shape: White Powder

Molecular weight: 446.58 g/mol

Ref: 3D-FD53581

Bitrex

CAS: 3734-33-6

Ref: BE-BePure-20716

Bitrex in Acetonitrile

CAS: 3734-33-6

Acetonitrile

Ref: BE-BePure-20716XA-100

Denatonium benzoate

CAS: 3734-33-6

Formula: C₂₈H₃₄N₂O₃

Purity: 95%

Color and Shape: Liquid

Molecular weight: 446.591

Ref: 10-F547217

Denatonium-d5 Benzoate (benzyl-2,3,4,5,6-d5)

Controlled Product

CAS: 3734-33-6

Formula: C₂₁D₅H₂₄N₂O·C₇H₅O₂

Color and Shape: Neat

Molecular weight: 451.62

Ref: TR-D231662