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504-02-9

Name 1,3-Cyclohexanedione
CAS 504-02-9
EINECS(EC#) 207-980-0
Molecular Formula C6H8O2
MDL Number MFCD00001585
Molecular Weight 112.13
MOL File 504-02-9.mol
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Chemical Properties

Appearance pale yellow to beige powder
Melting point  101-105 °C (lit.)
Boiling point  170.05°C (rough estimate)
density  1,1 g/cm3
vapor pressure  0.018Pa at 25℃
refractive index  1.4576 (estimate)
storage temp.  2-8°C
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Powder
pka 5.26(at 25℃)
color  Pale yellow to beige
Water Solubility  soluble
Merck  14,3178
BRN  385888
InChI 1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2
InChIKey HJSLFCCWAKVHIW-UHFFFAOYSA-N
SMILES O=C1CCCC(=O)C1
LogP 0.461 at 21.4℃ and pH3.2
Surface tension 69.9mN/m at 1.01g/L and 22℃
CAS DataBase Reference 504-02-9(CAS DataBase Reference)
NIST Chemistry Reference 1,3-Cyclohexanedione(504-02-9)
EPA Substance Registry System 504-02-9(EPA Substance)
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Safety Data

Safety Statements 
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
RTECS  GV0350000
F  8-21
TSCA  Yes
HS Code  29142900
Storage Class 13 - Non Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Chronic 3
Eye Dam. 1

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