52487
Denatonium benzoate
PESTANAL®, analytical 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
Product Name
Denatonium benzoate, PESTANAL®, analytical standard
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
SMILES string
[O-]C(=O)c1ccccc1.CC[N+](CC)(CC(=O)Nc2c(C)cccc2C)Cc3ccccc3
grade
analytical standard
product line
PESTANAL®
assay
≥97.0% (HPLC)
97.0-103.0% (NT)
shelf life
limited shelf life, expiry date on the label
mp
164-168 °C (lit.)
application(s)
cleaning products
cosmetics
food and beverages
personal care
format
neat
Quality Level
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Legal Information
signalword
Danger
hcodes
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
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