3,4-DIMETHYLTHIOPHENOL
- Product Name3,4-DIMETHYLTHIOPHENOL
- CAS18800-53-8
- MFC8H10S
- MW138.23
- EINECS242-587-8
- MOL File18800-53-8.mol
Chemical Properties
| Melting point | -30°C (estimate) |
| Boiling point | 218 °C (lit.) |
| Density | 1.027 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point | 194 °F |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| form | Liquid |
| pka | 6.91±0.10(Predicted) |
| color | Clear colorless to light yellow |
| Specific Gravity | 1.027 |
| BRN | 2040353 |
| InChI | 1S/C8H10S/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3 |
| InChIKey | IDKCKPBAFOIONK-UHFFFAOYSA-N |
| SMILES | Cc1ccc(S)cc1C |
| LogP | 3.328 (est) |
| CAS DataBase Reference | 18800-53-8(CAS DataBase Reference) |
| EPA Substance Registry System | Benzenethiol, 3,4-dimethyl- (18800-53-8) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36/37/39-36-7/9 |
| RIDADR | UN 3334 |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| HazardClass | IRRITANT, STENCH |
| HS Code | 29309070 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
