3002-23-1
| Name | 6-METHYL-2,4-HEPTANEDIONE |
| CAS | 3002-23-1 |
| EINECS(EC#) | 221-093-6 |
| Molecular Formula | C8H14O2 |
| MDL Number | MFCD00008939 |
| Molecular Weight | 142.2 |
| MOL File | 3002-23-1.mol |
Chemical Properties
| Appearance | Clear colorless to pale yellow liquid |
| Melting point | 25°C |
| Boiling point | 73 °C (18 mmHg) |
| density | 0.92 g/mL at 25 °C(lit.) |
| refractive index | 1.455-1.4577 |
| Fp | 58 °C |
| storage temp. | 2-8°C |
| form | clear liquid |
| pka | 9.23±0.10(Predicted) |
| color | yellow |
| Specific Gravity | 0.92 |
| Water Solubility | It is insoluble in water. |
| BRN | 1751122 |
| InChI | 1S/C8H14O2/c1-6(2)4-8(10)5-7(3)9/h6H,4-5H2,1-3H3 |
| InChIKey | IGMOYJSFRIASIE-UHFFFAOYSA-N |
| SMILES | CC(C)CC(=O)CC(C)=O |
| LogP | 1.642 (est) |
| CAS DataBase Reference | 3002-23-1(CAS DataBase Reference) |
| EPA Substance Registry System | 2,4-Heptanedione, 6-methyl- (3002-23-1) |
Safety Data
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 1993 3/PG 3 |
| WGK Germany | 3 |
| TSCA | Yes |
| REACH Registrations | Active |
| HazardClass | 3 |
| PackingGroup | III |
| HS Code | 29141990 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Eye Irrit. 2 Flam. Liq. 3 Skin Irrit. 2 STOT SE 3 |