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1,3-Cyclohexanedione

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1,3-Cyclohexanedione Basic information

Product Name:
1,3-Cyclohexanedione
CAS:
504-02-9
MF:
C6H8O2
MW:
112.13
EINECS:
207-980-0
Mol File:
504-02-9.mol
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1,3-Cyclohexanedione Chemical Properties

Melting point:
101-105 °C(lit.)
Boiling point:
170.05°C (rough estimate)
Density 
1,1 g/cm3
refractive index 
1.4576 (estimate)
storage temp. 
2-8°C
pka
5.26(at 25℃)
form 
Powder
color 
Pale yellow to beige
Water Solubility 
soluble
Merck 
14,3178
BRN 
385888
CAS DataBase Reference
504-02-9(CAS DataBase Reference)
NIST Chemistry Reference
1,3-Cyclohexanedione(504-02-9)
EPA Substance Registry System
1,3-Cyclohexanedione (504-02-9)
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Safety Information

Safety Statements 
24/25
WGK Germany 
3
RTECS 
GV0350000
8-21
TSCA 
Yes
HS Code 
29142900

MSDS

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1,3-Cyclohexanedione Usage And Synthesis

Chemical Properties

pale yellow to beige powder

Uses

Nitisinone intermediate.

Definition

ChEBI: A cyclohexanedione carrying oxo substituents at positions 1 and 3.

Purification Methods

Crystallise the dione from *benzene. Dissolve ~50g of the diol in 140mL of *C6H6 under N2, cool, collect the solid and dry it in a vacuum desiccator overnight. It is unstable and should be stored under N2 or Ar at ~0o. [Thompson Org Synth Coll Vol III 278 1955, Beilstein 7 IV 1985.]

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