1,3-Cyclohexanedione
- Product Name1,3-Cyclohexanedione
- CAS504-02-9
- CBNumberCB8319650
- MFC6H8O2
- MW112.13
- EINECS207-980-0
- MDL NumberMFCD00001585
- MOL File504-02-9.mol
Chemical Properties
| Melting point: | 101-105 °C (lit.) |
| Boiling point: | 170.05°C (rough estimate) |
| Density | 1,1 g/cm3 |
| vapor pressure | 0.018Pa at 25℃ |
| refractive index | 1.4576 (estimate) |
| storage temp. | Store at +2°C to +8°C. |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Powder |
| pka | 5.26(at 25℃) |
| color | Pale yellow to beige |
| Water Solubility | soluble |
| Merck | 14,3178 |
| BRN | 385888 |
| InChI | 1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2 |
| InChIKey | HJSLFCCWAKVHIW-UHFFFAOYSA-N |
| SMILES | O=C1CCCC(=O)C1 |
| LogP | 0.461 at 21.4℃ and pH3.2 |
| Surface tension | 69.9mN/m at 1.01g/L and 22℃ |
| CAS DataBase Reference | 504-02-9(CAS DataBase Reference) |
| NIST Chemistry Reference | 1,3-Cyclohexanedione(504-02-9) |
| EPA Substance Registry System | 1,3-Cyclohexanedione (504-02-9) |
Safety
| Symbol(GHS) |
  GHS05,GHS07 |
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| Signal word | Danger | |||||||||
| Hazard statements | H302-H318-H412 | |||||||||
| Precautionary statements | P273-P280-P301+P312+P330-P305+P351+P338+P310 | |||||||||
| PPE | Eyeshields, Gloves, type N95 (US) | |||||||||
| Safety Statements | 24/25 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | GV0350000 | |||||||||
| F | 8-21 | |||||||||
| TSCA | TSCA listed | |||||||||
| HS Code | 29142900 | |||||||||
| Storage Class | 13 - Non Combustible Solids | |||||||||
| Hazard Classifications |
Acute Tox. 4 Oral Aquatic Chronic 3 Eye Dam. 1 |
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| REACH Registrations | Active | |||||||||
| NFPA 704: |
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