4001-61-0
| Name | 2,5-DIMETHYLTHIOPHENOL |
| CAS | 4001-61-0 |
| EINECS(EC#) | 223-649-3 |
| Molecular Formula | C8H10S |
| MDL Number | MFCD00010020 |
| Molecular Weight | 138.23 |
| MOL File | 4001-61-0.mol |
Chemical Properties
| Appearance | clear light yellow liquid |
| Melting point | -30°C (estimate) |
| Boiling point | 126.3 °C/50 mmHg (lit.) |
| density | 1.02 g/mL at 25 °C(lit.) |
| refractive index | n |
| Fp | 182 °F |
| storage temp. | 2-8°C, stored under nitrogen |
| form | clear liquid |
| pka | 6.92±0.48(Predicted) |
| color | Colorless to Almost colorless |
| Specific Gravity | 1.031.020 |
| Sensitive | Stench |
| BRN | 2040348 |
| InChI | 1S/C8H10S/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3 |
| InChIKey | NHAUBUMQRJWWAT-UHFFFAOYSA-N |
| SMILES | Cc1ccc(C)c(S)c1 |
| LogP | 3.397 (est) |
| CAS DataBase Reference | 4001-61-0(CAS DataBase Reference) |
| NIST Chemistry Reference | 2,5-Dimethylthiophenol(4001-61-0) |
Safety Data
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 3334 |
| WGK Germany | 3 |
| Hazard Note | Irritant/Stench |
| TSCA | T |
| HazardClass | 6.1 |
| HazardClass | IRRITANT, STENCH |
| PackingGroup | III |
| HS Code | 29309090 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |