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3,5,5-Trimethylcyclohexane-1,2-Dione

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3,5,5-Trimethylcyclohexane-1,2-Dione / CAS : 57696-89-6

Appearance Colorless to yellowish solid UN 0
HS 29142990 DG Class 0
Synonyms Tobacco Ketone; 4,4,6-Trimethylcyclohexanedione; 1,2-Cyclohexanedione,3,5,5-Trimethyl; 3,5,5-Trimethyl-1,2-Cyclohexdione; 3,5,5-Trimethyl-1,2-Cyclohexanedione; 2-Cyclohexanedione,3,5,5-Trimethyl-1; 3,5,5-Trimethyl-2-Cyclohexanedione; 1,2-Cyclohexanedione, 3,5,5-Trimethyl-; 1,2-Cyclohexandion, 3,5,5-Trimethyl-
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Properties

Summary

Formula
C9H14O2
Molecular Mass
154.20600
Exact Mass
154.09900
PSA
34.14000
Logp
1.58070
IUPAC
3,5,5-trimethylcyclohexane-1,2-dione
SMILES
CC1CC(CC(=O)C1=O)(C)C

Attribute classification

Matter Classification
organic
Category
Cosmetics > Cosmetic Raw Materials
Food(Feed) Additives > Flavor Enhancer
Flavors and Fragrances > Synthetic Spices

Chemical and Physical Properties

Melting Point
89-92℃
Density
0.976 g/cm3
Boiling Point
214.6ºC
Flash Point
77.1ºC
Appearance
Colorless to yellowish solid
Acidity and Basicity
neutral

Export information

HS Code
29142990
Export Rebate
13%
UN No.
0
DG-Class
0
Risk Code
R36/38

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