3,5-Di-tert-butylbenzoic acid
- Product Name3,5-Di-tert-butylbenzoic acid
- CAS16225-26-6
- MFC15H22O2
- MW234.33
- EINECS240-350-3
- MOL File16225-26-6.mol
Chemical Properties
| Melting point | 173-175 °C(lit.) |
| Boiling point | 361.43°C (estimate) |
| Density | 0.9725 (estimate) |
| refractive index | 1.5283 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| form | Powder or Crystalline Powder |
| pka | 4.40±0.10(Predicted) |
| color | White to off-white |
| Water Solubility | Insoluble in water. |
| BRN | 981248 |
| InChI | InChI=1S/C15H22O2/c1-14(2,3)11-7-10(13(16)17)8-12(9-11)15(4,5)6/h7-9H,1-6H3,(H,16,17) |
| InChIKey | NCTSLPBQVXUAHR-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC(C(C)(C)C)=CC(C(C)(C)C)=C1 |
| CAS DataBase Reference | 16225-26-6(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 20/21/22 |
| Safety Statements | 36 |
| WGK Germany | 3 |
| HS Code | 29163990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral |
