504-02-9
| Name | 1,3-Cyclohexanedione |
| CAS | 504-02-9 |
| EINECS(EC#) | 207-980-0 |
| Molecular Formula | C6H8O2 |
| MDL Number | MFCD00001585 |
| Molecular Weight | 112.13 |
| MOL File | 504-02-9.mol |
Chemical Properties
| Appearance | pale yellow to beige powder |
| 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. | 2-8°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℃ |
Safety Data
| Symbol(GHS) |   GHS05,GHS07 |
| Signal word | Danger |
| Hazard statements | H302-H318-H412 |
| Precautionary statements | P273-P280-P301+P312+P330-P305+P351+P338+P310 |
| Safety Statements | |
| WGK Germany | 3 |
| RTECS | GV0350000 |
| F | 8-21 |
| TSCA | Yes |
| REACH Registrations | Active |
| HS Code | 29142900 |
| Storage Class | 13 - Non Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Chronic 3 Eye Dam. 1 |
