3,4-Dimethylthiophenol
- Product Name3,4-Dimethylthiophenol
- CAS18800-53-8
- CBNumberCB7480786
- MFC8H10S
- MW138.23
- EINECS242-587-8
- MDL NumberMFCD00010023
- MOL File18800-53-8.mol
- MSDS FileSDS
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) |
| FDA UNII | L4F41SS351 |
| EPA Substance Registry System | Benzenethiol, 3,4-dimethyl- (18800-53-8) |
Safety
| Symbol(GHS) |
|
|||||||||
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 | |||||||||
| 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 | |||||||||
| NFPA 704: |
|
