5-TERT-BUTYLISOPHTHALIC ACID
- Product Name5-TERT-BUTYLISOPHTHALIC ACID
- CAS2359-09-3
- MFC12H14O4
- MW222.24
- EINECS219-100-2
- MOL File2359-09-3.mol
Chemical Properties
| Melting point | >300 °C(lit.) |
| Boiling point | 400.0±42.0 °C(Predicted) |
| Density | 1.226±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | 3.63±0.10(Predicted) |
| form | powder to crystal |
| color | White to Almost white |
| InChI | InChI=1S/C12H14O4/c1-12(2,3)9-5-7(10(13)14)4-8(6-9)11(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16) |
| InChIKey | BJLUCDZIWWSFIB-UHFFFAOYSA-N |
| SMILES | C1(C(O)=O)=CC(C(C)(C)C)=CC(C(O)=O)=C1 |
| CAS DataBase Reference | 2359-09-3(CAS DataBase Reference) |
| EPA Substance Registry System | 5-tert-Butylisophthalic acid (2359-09-3) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-37/39 |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HS Code | 29173990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |