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Merck

1171003

USP

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

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About This Item

Linear Formula:
C21H29N2O · C7H5O2
CAS Number:
3734-33-6
Molecular Weight:
446.58
Beilstein:
8179408
MDL number:
MFCD00031578
UNSPSC Code:
41116107
PubChem Substance ID:
329749536
NACRES:
NA.24

Key Documents

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grade

pharmaceutical primary standard

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

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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.

Pictograms

Skull and crossbonesCorrosion
GHS06,GHS05

Signal Word

Danger

Hazard Statements

H302,H318,H330

Hazard Classifications

Acute Tox. 2 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1

Storage Class Code

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

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