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D5765

Sigma-Aldrich

Denatonium benzoate

≥98%

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:
Molecular Weight:
446.58
Beilstein:
8179408
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

≥98%

form

powder

mp

164-168 °C (lit.)

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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This Item
M299081171003108014
Denatonium benzoate ≥98%

Sigma-Aldrich

D5765

Denatonium benzoate

Methyl benzoate 99%

Sigma-Aldrich

M29908

Methyl benzoate

Denatonium benzoate United States Pharmacopeia (USP) Reference Standard

USP

1171003

Denatonium benzoate

Benzyl ether 98%

Sigma-Aldrich

108014

Benzyl ether

assay

≥98%

assay

99%

assay

-

assay

98%

form

powder

form

liquid

form

-

form

-

mp

164-168 °C (lit.)

mp

−12 °C (lit.)

mp

164-168 °C (lit.)

mp

1.5-3.5 °C (lit.)

Quality Level

100

Quality Level

200

Quality Level

-

Quality Level

100

General description

Denatonium benzoate (DB) is an ionized compound made up of a negatively charged benzoic acid and quaternary ammonium cation (denatonium). It is used as an alcohol denaturant and flavor in pharmaceuticals. Additionally, used in products like soap, animal repellents, antifreeze.

Application

Denatonium benzoate is used:

  • To prepare anti-gnawing bio-polymer composites using zinc stearate (ZnSt) and capsicum oleoresin (CO) impregnated in silica (SiCO) and polybutylene succinate(PBS).

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 3

Storage Class Code

11 - Combustible Solids

WGK

WGK 2

Flash Point(F)

212.0 °F - closed cup

Flash Point(C)

100 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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