5-Methylisophthalic acid
- Product Name5-Methylisophthalic acid
- CAS499-49-0
- MFC9H8O4
- MW180.16
- EINECS207-881-2
- MOL File499-49-0.mol
Chemical Properties
| Melting point | 299-303 °C(lit.) |
| Boiling point | 408.7±33.0 °C(Predicted) |
| Density | 1.377±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | soluble in Methanol |
| form | powder to crystal |
| pka | 3.60±0.10(Predicted) |
| color | White to Light yellow to Green |
| InChI | InChI=1S/C9H8O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13) |
| InChIKey | PMZBHPUNQNKBOA-UHFFFAOYSA-N |
| SMILES | C1(C(O)=O)=CC(C)=CC(C(O)=O)=C1 |
| CAS DataBase Reference | 499-49-0(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36/37/39 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HS Code | 29173990 |
