4-tert-Amylphenol
- Product Name4-tert-Amylphenol
- CAS80-46-6
- CBNumberCB4397591
- MFC11H16O
- MW164.24
- EINECS201-280-9
- MDL NumberMFCD00002369
- MOL File80-46-6.mol
Chemical Properties
| Melting point: | 88-89 °C (lit.) |
| Boiling point: | 255 °C (lit.) |
| Density | 0,96 g/cm3 |
| vapor pressure | 5Pa at 20℃ |
| refractive index | 1.5061 (estimate) |
| Flash point: | 111 °C |
| storage temp. | 2-8°C |
| solubility | H2O: insoluble |
| form | Briquettes or Flakes To Coarse Powder |
| pka | 10.24±0.26(Predicted) |
| color | White to pale yellow |
| Water Solubility | 37 mg/L (20 ºC) |
| Merck | 14,7142 |
| Henry's Law Constant | 4.9×100 mol/(m3Pa) at 25℃, HSDB (2015) |
| Stability: | Stable. Incompatible with acid chlorides, acid anhydrides, strong oxidizing agents. |
| InChI | 1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3 |
| InChIKey | NRZWYNLTFLDQQX-UHFFFAOYSA-N |
| SMILES | CCC(C)(C)c1ccc(O)cc1 |
| LogP | 3.6 at 22℃ |
| CAS DataBase Reference | 80-46-6(CAS DataBase Reference) |
| NIST Chemistry Reference | Phenol, 4-(1,1-dimethylpropyl)-(80-46-6) |
| EPA Substance Registry System | p-tert-Amylphenol (80-46-6) |
Safety
| Symbol(GHS) |
   GHS05,GHS07,GHS09 |
|||||||||
| Signal word | Danger | |||||||||
| Hazard statements | H302+H312-H314-H317-H410 | |||||||||
| Precautionary statements | P260-P273-P280-P301+P312-P303+P361+P353-P305+P351+P338 | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges | |||||||||
| Hazard Codes | C,N | |||||||||
| Risk Statements | 21/22-34-51/53-43 | |||||||||
| Safety Statements | 26-27-36/37/39-45-61 | |||||||||
| RIDADR | UN 2430 8/PG 2 | |||||||||
| WGK Germany | 2 | |||||||||
| RTECS | SM6825000 | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 8 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 2907199090 | |||||||||
| Storage Class | 8B - Non-combustible corrosive hazardous materials | |||||||||
| Hazard Classifications |
Acute Tox. 4 Dermal Acute Tox. 4 Oral Aquatic Chronic 1 Eye Dam. 1 Skin Corr. 1B Skin Sens. 1 |
|||||||||
| Hazardous Substances Data | 80-46-6(Hazardous Substances Data) | |||||||||
| Toxicity | LD50 orally in rats: 3.08 g/kg (Smyth) | |||||||||
| REACH Registrations | Active | |||||||||
| Limited Quantities | 1 Kg (2.2 lbs) (solid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) | |||||||||
| NFPA 704: |
|