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Compound Summary

General Compound Information

Denatonium benzoate

Description

Not Available

Synonyms

DENATONIUM BENZOATE; 3734-33-6; Bitrex; Lidocaine benzyl benzoate; THS-839;

Denatonium (benzoate);Aversion;Denatonium benzoate anhydrous;Benzoato de denatonio;Benzoate de denatonium;Lignocaine benzyl benzoate;WIN 16568;MFCD00031578;M5BA6GAF1O;NSC-157658;ECX-95BY;Benzyldiethyl((2,6-xylylcarbamoyl)methyl)ammonium benzoate;3734-33-6 (benzoate);DTXSID8034376;NSC 157658;WIN-16568;Benzenemethanaminium, N-(2-((2,6-dimethylphenyl)amino)-2-oxoethyl)-N,N-diethyl-, benzoate;Benzyldiethyl[(2,6-xylylcarbamoyl)methyl]ammonium benzoate;NCGC00017043-02;Anispray;CAS-3734-33-6;Gori;benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium;benzoate;DTXCID6014376;Caswell No. 083BB;Denatonii benzoas;N-benzyl-2-((2,6-dimethylphenyl)amino)-N,N-diethyl-2-oxoethan-1-aminium benzoate;Benzenemethanaminium, N-(2-((2,6-dimethylphenyl)amino)-2-oxoethyl)-N,N-diethyl-, benzoate (1:1);Denatonii benzoas [INN-Latin];LIDOCAINE BENZYL BENZOATE HYDRATE;EINECS 223-095-2;UNII-M5BA6GAF1O;Benzoate de denatonium [INN-French];Benzoato de denatonio [INN-Spanish];Denatonium benzoate [USAN:INN:BAN];EPA Pesticide Chemical Code 009106;N-Benzyl-2-((2,6-dimethylphenyl)amino)-N,N-diethyl-2-oxoethanaminium benzoate;Benzoato di denatonio;Denatonium Benzoate,99%;SCHEMBL49511;MLS002154073;Denatonium benzoate, >=98%;Benzyldiethyl(2,6-xylylcarbamoylmethyl)ammonium benzoate;CHEMBL1371493;DENATONIUM BENZOATE [MI];Denatonium Benzoate 25% in EG;DENATONIUM BENZOATE [INN];((2,6-Xylylcarbamoyl)methyl)diethyl benzyl ammonium benzoate;DENATONIUM BENZOATE [INCI];HMS1571A03;HMS2093L12;HMS2098A03;HMS2233O05;HMS3373C04;HMS3715A03;Pharmakon1600-01505987;Ammonium, benzyldiethyl((2,6-xylylcarbamoyl)methyl)-, benzoate;HY-B1146;Tox21_110754;Tox21_301587;DENATONIUM BENZOATE [WHO-DD];NSC157658;NSC759299;AKOS015888129;benzyl-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-diethyl-ammonium benzoate;N,N-Diethyl-N-[(2,6-dimethylphenylcarbamoyl)methyl]benzylammonium benzoate;Tox21_110754_1;CCG-213592;CS-4750;NSC-759299;Denatonium benzoate, analytical standard;N-(2-((2,6-Dimethylphenyl)amino)-2-oxoethyl)-N,N-diethylbenzeneme- thanaminium benzoate;NCGC00017043-01;NCGC00091886-04;NCGC00164432-01;NCGC00255373-01;AC-14888;AS-15511;SMR001233385;SY075333;DB-049095;Ammonium,6-xylylcarbamoyl)methyl]-, benzoate;D2124;FT-0622841;F16467;A823606;Q414815;W-106547;Denatonium benzoate, certified reference material, TraceCERT(R);Benzyldiethyl[(2,6-dimethylphenylcarbamoyl)methyl]ammonium Benzoate;benzyl-[(2,6-dimethylphenyl)carbamoylmethyl]-diethyl-azanium benzoate;Benzyl-[(2,6-dimethylphenylcarbamoyl)-methyl]diethylammonium benzoate;Benzyl-[(2,6-dimethylphenylcarbamoyl)methyl]-diethylammonium benzoate;Denatonium benzoate, United States Pharmacopeia (USP) Reference Standard;Benzenemethanaminium,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, benzoate;Benzenemethanaminium,N-[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl-, benzoate;N-benzyl-2-(2,6-dimethylphenylamino)-N,N-diethyl-2-oxoethanaminium benzoate;N-(2-((2,6-DIMETHYLPHENYL)AMINO)-2-OXOETHYL)-N,N-DIETHYLBENZENEMETHANAMINIUM BENZOATE;

FlavorDB ID

16 PUBCHEM ID

Molecular Weight

446.6 Molecular Formula

C28H34N2O3

Openeye Can Smiles

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

IUPAC Inchikey

VWTINHYPRWEBQY-UHFFFAOYSA-N

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Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database

EFSA's chemical Hazards Database : OpenFoodTox
This compound is found in OpenFoodTox with the name: Denathonium benzoate

Reference point : Defined point on an experimental dose–response relationship for the critical effect. This term is synonymous to Point of departure (USA). Reference points include the lowest or no observed adverse effect level (LOAEL/NOAEL) or benchmark dose lower confidence limit (BDML), used to derive a reference value or Margin of Exposure in human and animal health risk assessment. In the ecological area, these include lethal dose (LD50), effect concentration (EC5/ECx), no (adverse) effect concentration/dose (NOEC/NOAEC/NOAED), no (adverse) effect level (NEL/NOAEL), hazard concentration (HC5/HCx) derived from a Species Sensitivity Distributions (SSD) for the ecosystem (EFSA Scientific Committee,2018). Citation: DOI 10.5281/zenodo.4740174

Output ID	SPECIES	Route	Duration Days	END POINT	QUALIFIER	VALUE	UNIT	EFFECT	Toxicity
1301	Bobwhite quail	oral: unspecified		LD50	=	196	mg/kg bw	mortality	systemic
1301	Bobwhite quail	oral: feed		LC50	=	778.3	mg/kg bw/day	mortality	systemic
1301	Mallard duck	oral: feed		LC50	=	841.8	mg/kg bw/day	mortality	systemic
1301	Daphnia magna	Not reported	2	EC50	>	500	mg/L	mortality
1301	Nitzschia palea	Not reported	2.9375	EC50	=	5	mg/L	biomass
1301	Rainbow trout	Not reported	4	EC50	>	1000	mg/L	mortality
1301	Daphnia magna	Not reported	21	NOEC	=	5	mg/L	reproduction

Reference Value

Reference Value : The estimated maximum dose (on a body mass basis) or the concentration of an agent to which an individual may be exposed over a specified period without appreciable risk. Reference values are established by applying an uncertainty factor to the reference point. Examples of reference values in human health include acceptable daily intake (ADI) for food and feed additives, and pesticides, tolerable upper intake levels (UL) for vitamins and minerals, and tolerable daily intake (TDI) for contaminants and food contact materials. For acute effects and operators, the acute reference dose (ARfD) and the acceptable operator exposure level (AOEL). In animal health and the ecological area, these include safe feed concentrations and the Predicted no effect concentration (PNEC) respectively (EFSA Scientific Committee, 2018). Citation: DOI 10.5281/zenodo.4740174

Reference value information of this compound is not available!

Genotoxicity

Author	YEAR	OUTPUT ID	Genotoxicity
EFSA	2012	1301	Negative

EFSA Outputs

Output ID	Title	DOI	Published
1301	Conclusion on the peer review of the pesticide risk assessment of the active substance denatonium benzoate (approved as denathonium benzoate)	doi:10.2903/j.efsa.2012.2483	10Jan2012

Receptors

Receptor	REFERENCE	EC50 [µM]
TAS2R4	details	Activated
TAS2R8	details	Activated
TAS2R10	details	Activated
TAS2R13	details	Activated
TAS2R39	details	Activated
TAS2R43	details	Activated
TAS2R46	details	Activated
TAS2R30	details	Activated

GC-MS Consensus Spectra

GC-MS Consensus Spectra information of this compound is not available!

Content

Compound Summary

Denatonium benzoate

Description

Not Available

Synonyms

DENATONIUM BENZOATE; 3734-33-6; Bitrex; Lidocaine benzyl benzoate; THS-839;

FlavorDB ID

16

PUBCHEM ID

19518

Molecular Weight

446.6

Molecular Formula

C28H34N2O3

Openeye Can Smiles

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

IUPAC Inchikey

VWTINHYPRWEBQY-UHFFFAOYSA-N

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Content

Compound Summary

Denatonium benzoate

Description

Not Available

Synonyms

DENATONIUM BENZOATE; 3734-33-6; Bitrex; Lidocaine benzyl benzoate; THS-839;

FlavorDB ID

16

PUBCHEM ID

19518

Molecular Weight

446.6

Molecular Formula

C28H34N2O3

Openeye Can Smiles

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

IUPAC Inchikey

VWTINHYPRWEBQY-UHFFFAOYSA-N

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OpenFoodTox: component Denathonium benzoate

Reference Details

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