m-Isobutyl ibuprofen
- Product Namem-Isobutyl ibuprofen
- CAS66622-47-7
- CBNumberCB9435366
- MFC13H18O2
- MW206.28
- MDL NumberMFCD08275582
- MOL File66622-47-7.mol
Chemical Properties
| Boiling point: | 314.8±11.0 °C(Predicted) |
| Density | 1.029±0.06 g/cm3(Predicted) |
| storage temp. | Refrigerator |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Oil |
| pka | 4.35±0.10(Predicted) |
| color | Colourless |
| Major Application | pharmaceutical (small molecule) |
| InChI | 1S/C13H18O2/c1-9(2)7-11-5-4-6-12(8-11)10(3)13(14)15/h4-6,8-10H,7H2,1-3H3,(H,14,15) |
| InChIKey | SFVKLYXPBKITCE-UHFFFAOYSA-N |
| SMILES | OC(=O)C(C)c1cc(ccc1)CC(C)C |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P313-P337+P313-P362-P403+P233-P405-P501 |
| WGK Germany | WGK 3 |
| HS Code | 2916399090 |
| Storage Class | 11 - Combustible Solids |