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3859-41-4

Name 1,3-Cyclopentanedione
CAS 3859-41-4
EINECS(EC#) 223-372-8
Molecular Formula C5H6O2
MDL Number MFCD00001405
Molecular Weight 98.1
MOL File 3859-41-4.mol
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Chemical Properties

Appearance white to cream crystalline powder
Melting point  149-151 °C (lit.)
Boiling point  143.59°C (rough estimate)
density  1.1008 (rough estimate)
refractive index  1.4400 (estimate)
storage temp.  0-6°C
solubility  DMSO, Ethyl Acetate
form  Crystalline Powder
pka 8.94±0.20(Predicted)
color  white to brown
Water Solubility  Very soluble in water.
BRN  1362728
InChI InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2
InChIKey LOGSONSNCYTHPS-UHFFFAOYSA-N
SMILES C1(=O)CCC(=O)C1
CAS DataBase Reference 3859-41-4(CAS DataBase Reference)
NIST Chemistry Reference 1,3-Cyclopentanedione(3859-41-4)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany  3
HS Code  29142900
Storage Class 11 - Combustible Solids

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