1,3-Cyclopentanedione

1,3-Cyclopentanedione
  • CAS No.:3859-41-4
Other grades of this product :
1,3-Cyclopentanedione Basic information
Product Name:1,3-Cyclopentanedione
Synonyms:1,3-CYCLOPENTANEDIONE;1,3-Cyclopentadione;Cyclopentanedione;CYCLOPENTANE-1,3-DIONE;1,3-CYCLOPENTANEDIONE 98+%;Pentan-1,3-dione;1,3-Cyclopentanedione,99%;1,3-Cyclopentandion
CAS:3859-41-4
MF:C5H6O2
MW:98.1
EINECS:223-372-8
Product Categories:Ring Systems;C3 to C6;pharmacetical;ketone;Carbonyl Compounds;Ketones;Carbonyl Compounds
Mol File:3859-41-4.mol
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
pka8.94±0.20(Predicted)
color white to brown
Water Solubility Very soluble in water.
BRN 1362728
InChIInChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2
InChIKeyLOGSONSNCYTHPS-UHFFFAOYSA-N
SMILESC1(=O)CCC(=O)C1
CAS DataBase Reference3859-41-4(CAS DataBase Reference)
NIST Chemistry Reference1,3-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 Information
ProviderLanguage
1,3-Cyclopentanedione English
SigmaAldrich English
ACROS English
ALFA English
1,3-Cyclopentanedione Usage And Synthesis
Chemical Propertieswhite to cream crystalline powder
Uses1,3-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.
Uses1,3-Cyclopentanedione was used in the synthesis of chemical probes for selective labeling of sulfenic acid proteins.
Synthesis Reference(s)Journal of the American Chemical Society, 102, p. 2095, 1980 DOI: 10.1021/ja00526a059
Purification MethodsPurify 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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