3,5-Di-tert-butyl-4-hydroxybenzoic acid
- Product Name3,5-Di-tert-butyl-4-hydroxybenzoic acid
- CAS1421-49-4
- MFC15H22O3
- MW250.33
- EINECS215-823-2
- MOL File1421-49-4.mol
Chemical Properties
| Melting point | 206-209 °C (lit.) |
| Boiling point | 353.47°C (rough estimate) |
| Density | 1.0589 (rough estimate) |
| refractive index | 1.5600 (estimate) |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 4.77±0.10(Predicted) |
| color | White to Pale Yellow |
| Water Solubility | Insoluble in water. |
| BRN | 2216948 |
| Stability | Hygroscopic |
| InChI | 1S/C15H22O3/c1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6/h7-8,16H,1-6H3,(H,17,18) |
| InChIKey | YEXOWHQZWLCHHD-UHFFFAOYSA-N |
| SMILES | CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(O)=O |
| CAS DataBase Reference | 1421-49-4(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-(1421-49-4) |
| EPA Substance Registry System | Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy- (1421-49-4) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 22-36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| RTECS | DG6320000 |
| TSCA | TSCA listed |
| HS Code | 29181990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
