1,3-Cyclopentanedione
- CAS NO.：3859-41-4
- Empirical Formula: C5H6O2
- Molecular Weight: 98.1
- MDL number: MFCD00001405
- EINECS: 223-372-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-04 20:04:50
What is 1,3-Cyclopentanedione?
Chemical properties
white to cream crystalline powder
The Uses of 1,3-Cyclopentanedione
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.]
Properties of 1,3-Cyclopentanedione
| 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 |
| pka | 8.94±0.20(Predicted) |
| form | Crystalline Powder |
| 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 |
| CAS DataBase Reference | 3859-41-4(CAS DataBase Reference) |
| NIST Chemistry Reference | 1,3-Cyclopentanedione(3859-41-4) |
Safety information for 1,3-Cyclopentanedione
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. |
Computed Descriptors for 1,3-Cyclopentanedione
| InChIKey | LOGSONSNCYTHPS-UHFFFAOYSA-N |
| SMILES | C1(=O)CCC(=O)C1 |
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product: Cyclopentane-1,3-dione 98%
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