4-(tert-Butyl)benzyl mercaptan
- Product Name4-(tert-Butyl)benzyl mercaptan
- CAS49543-63-7
- MFC11H16S
- MW180.31
- EINECS
- MOL File49543-63-7.mol
Chemical Properties
| Boiling point | 102-103 °C3.1 mm Hg(lit.) |
| Density | 0.966 g/mL at 25 °C(lit.) |
| refractive index | n |
| Flash point | 162 °F |
| pka | 9.83±0.10(Predicted) |
| form | clear liquid |
| color | Colorless to Light yellow to Light orange |
| InChI | InChI=1S/C11H16S/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3 |
| InChIKey | UIYKSYBJKIMANV-UHFFFAOYSA-N |
| SMILES | C1(CS)=CC=C(C(C)(C)C)C=C1 |
| CAS DataBase Reference | 49543-63-7(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| RIDADR | UN 3334 |
| WGK Germany | 3 |
| HS Code | 2930909899 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
