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denatonium benzoate
Sign in to saveAlso known as denatonium benzoate anhydrous
Denatonium is an organic ion and one of the bitterest chemical compounds known, with bitterness thresholds of 0.05 ppm for the benzoate and 0.01 ppm for the saccharinate. Commercially, it is usually available in salts such as denatonium benzoate (under trade names such as Denatrol, BITTERANT-b, BITTER+PLUS, Bitrex, Bitrix, Toxishield and Aversion) or as denatonium saccharinate (BITTERANT-s).
Chemical data
- Formula
- C28H34N2O3
- Molecular weight
- 446.6 g/mol
- IUPAC name
- benzoic acid;2-[benzyl(diethyl)azaniumyl]-N-(2,6-dimethylphenyl)ethanimidate
- SMILES
- CC[N+](CC)(CC1=CC=CC=C1)CC(=NC2=C(C=CC=C2C)C)[O-].C1=CC=C(C=C1)C(=O)O
- InChIKey
- VWTINHYPRWEBQY-UHFFFAOYSA-N
- Polar surface area
- 72.7 Ų
- H-bond donors
- 1
- H-bond acceptors
- 4
- Formal charge
- 0
via PubChem
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Encyclopedic overview
5 sectionsContents
- Structure, synthesis, and physical properties
- Biochemistry
- Applications
- See also
- References
Denatonium is an organic ion and one of the bitterest chemical compounds known, with bitterness thresholds of 0.05 ppm for the benzoate and 0.01 ppm for the saccharinate. Commercially, it is usually available in salts such as denatonium benzoate (under trade names such as Denatrol, BITTERANT-b, BITTER+PLUS, Bitrex, Bitrix, Toxishield and Aversion) or as denatonium saccharinate (BITTERANT-s).
Denatonium was discovered in 1958 during research on local anesthetics by T. & H. Smith of Edinburgh, Scotland, and registered under the trademark Bitrex.
Excerpted from Wikipedia’s “denatonium benzoate” article, available under the CC BY-SA 4.0 licence.