Diethyl ethylmalonate
- Product NameDiethyl ethylmalonate
- CAS133-13-1
- MFC9H16O4
- MW188.22
- EINECS205-093-3
- MOL File133-13-1.mol
Chemical Properties
| Melting point | 0°C |
| Boiling point | 75-77 °C/5 mmHg (lit.) |
| Density | 1.004 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point | 191 °F |
| storage temp. | Store below +30°C. |
| solubility | 2.87g/l |
| form | Liquid |
| pka | 13.17±0.46(Predicted) |
| color | Clear colorless |
| PH | 4.46 at 24.3℃ and 10g/L |
| Water Solubility | immiscible |
| BRN | 607635 |
| InChI | 1S/C9H16O4/c1-4-7(8(10)12-5-2)9(11)13-6-3/h7H,4-6H2,1-3H3 |
| InChIKey | VQAZCUCWHIIFGE-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C(CC)C(=O)OCC |
| LogP | 2.4 at 30℃ and pH7.93 |
| CAS DataBase Reference | 133-13-1(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 24/25-36-26 |
| WGK Germany | 2 |
| TSCA | TSCA listed |
| HS Code | 29171990 |
| Storage Class | 10 - Combustible liquids |
| Toxicity | LD50 orally in Rabbit: > 2000 mg/kg LD50 dermal Rat > 2000 mg/kg |
