2-Ethylbenzenethiol
- Product Name2-Ethylbenzenethiol
- CAS4500-58-7
- MFC8H10S
- MW138.23
- EINECS224-811-6
- MOL File4500-58-7.mol
Chemical Properties
| Melting point | -30°C (estimate) |
| Boiling point | 203-205 °C (lit.) |
| Density | 1.025 g/mL at 25 °C (lit.) |
| FEMA | 3345 | 2-ETHYLTHIOPHENOL |
| refractive index | n |
| Flash point | 177 °F |
| pka | 6.81±0.43(Predicted) |
| Specific Gravity | 1.025 |
| Odor | at 0.10 % in propylene glycol. sulfurous roasted meaty smoky |
| Odor Type | sulfurous |
| biological source | synthetic |
| Sensitive | Air Sensitive |
| JECFA Number | 529 |
| BRN | 2553288 |
| Major Application | flavors and fragrances |
| InChI | 1S/C8H10S/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3 |
| InChIKey | ABROBCBIIWHVNS-UHFFFAOYSA-N |
| SMILES | CCc1ccccc1S |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36-37/39 |
| RIDADR | 2810 |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29309090 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
