1,3-Cyclopentanedione Chemical Properties

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. 

2-8°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 Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

22-24/25-36-26

WGK Germany 

3

HS Code 

29142900

MSDS

• Language:English Provider:1,3-Cyclopentanedione
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

1,3-Cyclopentanedione Usage And Synthesis

Chemical Properties

white to cream crystalline powder

Uses

1,3-Cyclopentanedione was used in the synthesis of chemical probes for selective labeling of sulfenic acid proteins. It was also used to synthesize enaminones with possible anticonvulsant activity.

Definition

ChEBI: Cyclopentane-1,3-dione is a beta-diketone and a member of cyclopentanones.

Synthesis Reference(s)

Journal of the American Chemical Society, 102, p. 2095, 1980 DOI: 10.1021/ja00526a059

Purification Methods

Purify the dione by Soxhlet extraction with CHCl3. The CHCl3 is evaporated and the residue is recrystallised from EtOAc and/or sublimed at 120o/4mm. [IR: Boothe et al. J Am Chem Soc 75 1732 1953, DePuy & Zaweski J Am Chem Soc 81 4920 1959, Beilstein 7 IV 1981.]

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