2-tert-Butylphenol
- Product Name2-tert-Butylphenol
- CAS88-18-6
- MFC10H14O
- MW150.22
- EINECS201-807-2
- MOL File88-18-6.mol
Chemical Properties
| Melting point | −7 °C(lit.) |
| Boiling point | 224 °C(lit.) |
| Density | 0.978 g/mL at 25 °C(lit.) |
| vapor pressure | 0.05 mm Hg ( 20 °C) |
| refractive index | n |
| Flash point | >230 °F |
| storage temp. | Store below +30°C. |
| solubility | 0.97g/l soluble |
| pka | 10.62(at 25℃) |
| form | clear liquid |
| color | Colorless to Light yellow to Light orange |
| Water Solubility | 0.23 g/100 mL (20 ºC) |
| BRN | 1907120 |
| Henry's Law Constant | 3.9×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Stability | Light Sensitive |
| InChI | 1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3 |
| InChIKey | WJQOZHYUIDYNHM-UHFFFAOYSA-N |
| SMILES | CC(C)(C)c1ccccc1O |
Safety Information
| Hazard Codes | T,N |
| Risk Statements | 21/22-23-34-51/53-22 |
| Safety Statements | 26-36/37/39-45-61 |
| RIDADR | UN 2922 8/PG 2 |
| WGK Germany | 2 |
| RTECS | SJ8921000 |
| TSCA | TSCA listed |
| HazardClass | 8 |
| PackingGroup | III |
| HS Code | 29071900 |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 3 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Aquatic Chronic 2 Eye Dam. 1 Skin Corr. 1B |
| Hazardous Substances Data | 88-18-6(Hazardous Substances Data) |
