2,2-Dimethylbutyric acid
- Product Name2,2-Dimethylbutyric acid
- CAS595-37-9
- MFC6H12O2
- MW116.16
- EINECS209-865-0
- MOL File595-37-9.mol
Chemical Properties
| Melting point | -14°C |
| Boiling point | 94-96 °C/5 mmHg (lit.) |
| Density | 0.928 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point | 175 °F |
| storage temp. | Refrigerator |
| solubility | Chloroform (Sparingly), Methanol (Slightly) |
| pka | pK1:5.03 (18°C) |
| form | Liquid |
| color | Clear colorless to pale yellow |
| Specific Gravity | 0.928 |
| Decomposition | 176-178 ºC |
| BRN | 1720666 |
| InChI | 1S/C6H12O2/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H,7,8) |
| InChIKey | VUAXHMVRKOTJKP-UHFFFAOYSA-N |
| SMILES | CCC(C)(C)C(O)=O |
| LogP | 1-2.3 at 20℃ and pH2.5-6.7 |
| CAS DataBase Reference | 595-37-9(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36/37-36 |
| WGK Germany | 3 |
| HS Code | 29156000 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |