Denatonium Benzoate

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)
Benzyldiethyl[(2,6-xylylcarbamoyl)methyl]ammonium benzoate
Bitrex
Bitterant Bitrex PG
ECX 95BY
Gori
Lignocaine benzyl benzoate
N-[2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl(phenylmethyl)ammonium benzoate

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	VWTINHYPRWEBQY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	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)
IUPAC name chemrof:IUPAC_name	N-[2-[(2,6-Dimethylphenyl)amino]-2-oxoethyl]-N,N-diethyl(phenylmethyl)ammonium benzoate
Molecular formula chemrof:molecular_formula	C21H28N2O.C7H6O2, C28H34N2O3
Molecular mass chemrof:molecular_mass	446.591
Monoisotopic mass chemrof:monoisotopic_mass	446.25694, 446.256943
SMILES string chemrof:smiles_string	CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1.O=C([O-])c1ccccc1

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=3734-33-6	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:232400	enrich_references.chebi_id_link
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/60205797	enrich_references.pubchem_compound
PubMed	https://pubmed.ncbi.nlm.nih.gov/37128604	enrich_references.chebi_xrefs
Wikidata	https://www.wikidata.org/wiki/Q414815	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/https://en.wikipedia.org/wiki/Denatonium	enrich_references.chebi_xrefs

Flow	Context	Source	Unit	CFs
c799980e-8847-4d43-be11-0290c23c647c	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
5e2ee294-2cb7-48c2-b944-65ef0b7d37e8	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
3df848bf-2b23-48c5-ae48-fcf856e941a2	Environmental → Air → Indoor	EF 3.1	kg	2
1b775809-29a7-40ce-a420-663613ca38d6	Environmental → Air → Long-term	EF 3.1	kg	0
d062400c-d3ee-4206-a7e3-453ea33c8730	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
455bab38-f4cb-47e2-b11c-de51e4329016	Environmental → Air → Unknown	EF 3.1	kg	2
b5d7c2f5-e197-4959-bb52-5f81a7e15a92	Environmental → Ground → Agricultural	EF 3.1	kg	2
e459fe13-c820-4248-8627-347a181d1709	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
99ec1079-a643-4407-a920-1bff585d41ad	Environmental → Ground → Unknown	EF 3.1	kg	2
6099e59e-6f0c-4f4c-a179-d6940903a391	Environmental → Water → Long-term	EF 3.1	kg	0
5edb7d9d-871a-420f-bd6f-4e58c0f040d1	Environmental → Water → Ocean	EF 3.1	kg	2
5393c011-6419-4bcc-87d1-853fcf6abacd	Environmental → Water → Surface water	EF 3.1	kg	2
b4ef5663-89b8-45a9-ade3-ee3dd0862c14	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

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  },
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}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

Denatonium Benzoate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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