1171003

Denatonium benzoate

United States Pharmacopeia (USP) Reference Standard

• Synonym(s): N,N-Diethyl-N-[(2,6-dimethylphenyl­carbamoyl)­methyl]­benzyl­ammonium benzoate, Benzyldiethyl(2,6-xylyl­carbamoyl­methyl)­ammonium benzoate, THS 839
• Linear Formula: C₂₁H₂₉N₂O · C₇H₅O₂
• CAS Number: 3734-33-6
• Molecular Weight: 446.58
• UNSPSC Code: 41116107
• NACRES: NA.24
• PubChem Substance ID: 329749536
• MDL number: MFCD00031578
• Beilstein/REAXYS Number: 8179408

Properties

• grade: pharmaceutical primary standard
• agency: USP
• API family: denatonium
• manufacturer/tradename: USP
• mp: 164-168 °C (lit.)
• application(s): pharmaceutical (small molecule)
• format: neat
• SMILES string: [O-]C(=O)c1ccccc1.CC[N+](CC)(CC(=O)Nc2c(C)cccc2C)Cc3ccccc3
• 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)
• InChI key: VWTINHYPRWEBQY-UHFFFAOYSA-N

Description

General description

This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets have been developed and issued under the Authority of the issuing Pharmacopoeia.
For further information and support please go to the website of the issuing Pharmacopoeia.

Application

Denatonium benzoate USP reference standard, intended for use in specified quality tests and assays as specified in the USP compendia.
Also, for use with USP monograph such as Rubbing Alcohol.

Analysis Note

These products are for test and assay use only. They are not meant for administration to humans or animals and cannot be used to diagnose, treat, or cure diseases of any kind.  ​

Other Notes

Sales restrictions may apply.

Safety Information

• pictograms: GHS06,GHS05
• signalword: Danger
• hcodes: H302,H318,H330
• pcodes: P260 - P264 - P280 - P301 + P312 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 2 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1
• Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• wgk: WGK 2
• flash_point_f: 212.0 °F - closed cup
• flash_point_c: 100 °C - closed cup