2-Ethyl-1,3-cyclopentanedione
- Product Name2-Ethyl-1,3-cyclopentanedione
- CAS823-36-9
- CBNumberCB3263295
- MFC7H10O2
- MW126.15
- EINECS212-512-3
- MDL NumberMFCD00044191
- MOL File823-36-9.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 172-175 °C |
| Boiling point | 194.28°C (rough estimate) |
| Density | 1.0579 (rough estimate) |
| refractive index | 1.4660 (estimate) |
| storage temp. | Store at room temperature |
| solubility | soluble in Methanol |
| form | powder to crystal |
| pka | 10.87±0.20(Predicted) |
| color | White to Light yellow |
| PH | 2.94 at 24.3℃ and 10g/L |
| BRN | 1860068 |
| InChI | InChI=1S/C7H10O2/c1-2-5-6(8)3-4-7(5)9/h5H,2-4H2,1H3 |
| InChIKey | YDFBIBUYOUFJMR-UHFFFAOYSA-N |
| SMILES | C1(=O)CCC(=O)C1CC |
| LogP | 0.3 at 30℃ and pH7.69 |
| CAS DataBase Reference | 823-36-9(CAS DataBase Reference) |
| FDA UNII | 91A82TE3OS |
| NIST Chemistry Reference | 1,3-Cyclopentanedione, 2-ethyl-(823-36-9) |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302-H315-H319-H335 | |||||||||
| Precautionary statements | P261-P305+P351+P338 | |||||||||
| Safety Statements | 24/25 | |||||||||
| HS Code | 2914290090 | |||||||||
| NFPA 704: |
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