3-Methylbenzenethiol
- Product Name3-Methylbenzenethiol
- CAS108-40-7
- MFC7H8S
- MW124.2
- EINECS203-578-4
- MOL File108-40-7.mol
Chemical Properties
| Melting point | <-20°C |
| Boiling point | 196 °C(lit.) |
| Density | 1.044 g/mL at 25 °C(lit.) |
| refractive index | n |
| Flash point | 163 °F |
| Water Solubility | Insoluble in water |
| form | Liquid |
| pka | pK1:6.58 (25°C) |
| color | Clear colorless to light yellow |
| Specific Gravity | 1.644 |
| Sensitive | Stench |
| Merck | 14,9325 |
| BRN | 1851959 |
| Henry's Law Constant | 2.7×10-2 mol/(m3Pa) at 25℃, HSDB (2015) |
| InChI | 1S/C7H8S/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3 |
| InChIKey | WRXOZRLZDJAYDR-UHFFFAOYSA-N |
| SMILES | Cc1cccc(S)c1 |
| LogP | 2.980 (est) |
Safety Information
| Hazard Codes | Xi,Xn |
| Risk Statements | 37/38-41-36/37/38-20/21/22 |
| Safety Statements | 26-39-36/37/39 |
| RIDADR | UN2810 |
| WGK Germany | 3 |
| RTECS | XT8700000 |
| Hazard Note | Harmful/Irritant/Stench |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29309090 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Aquatic Acute 1 Eye Dam. 1 Skin Irrit. 2 STOT SE 3 |
| Hazardous Substances Data | 108-40-7(Hazardous Substances Data) |
