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D5765

Denatonium benzoate

≥98%

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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
57654112
EC Number:
223-095-2
Beilstein/REAXYS Number:
8179408
MDL number:
MFCD00031578
Assay:
≥98%
Form:
powder
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Quality Segment

100

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

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).

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pictograms

Skull and crossbonesCorrosion
GHS06,GHS05

signalword

Danger

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

ppe

dust mask type N95 (US), Eyeshields, Gloves

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