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4-Tert-Butyl-2,6-Dimethyl-3,5-Dinitroacetophenone

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4-Tert-Butyl-2,6-Dimethyl-3,5-Dinitroacetophenone / CAS : 81-14-1

Appearance Light yellow powder or flake crystal. UN 1648
HS 29147900 DG Class 3
Synonyms 4'-Tert-Butyl-2',6'-Dimethyl-3',5'-Dinitroacetophenone; 1-(4-Tert-Butyl-2,6-Dimethyl-3,5-Dinitrophenyl)Ethanone; Musk Ketone
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Properties

Summary

Formula
C14H18N2O5
Molecular Mass
294.30300
Exact Mass
294.12200
PSA
108.71000
Logp
4.66630
IUPAC
1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone
SMILES
CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C(=O)C

Attribute classification

Matter Classification
organic
Category
Flavors and Fragrances > Spice
Auxiliary > Other Auxiliary Agent

Chemical and Physical Properties

Melting Point
135-139 °C
Density
1.206 g/cm3
Boiling Point
369ºC
Flash Point
2 °C
Appearance
Light yellow powder or flake crystal.
Acidity and Basicity
acidness

Export information

HS Code
29147900
Export Rebate
13%
UN No.
1648
DG-Class
3
Risk Code
R11-20/21/22-36-50/53-40
Safety Label
F,Xn,N

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