2-Octanethiol
- Product Name2-Octanethiol
- CAS3001-66-9
- MFC8H18S
- MW146.29
- EINECS221-086-8
- MOL File3001-66-9.mol
Chemical Properties
| Melting point | -79°C |
| Boiling point | 195.97°C (estimate) |
| Density | 0.8327 |
| refractive index | 1.4481 |
| pka | 10.97±0.25(Predicted) |
| Henry's Law Constant | 9.9×10-4 mol/(m3Pa) at 25℃, Yaws et al. (2003) |
| InChI | InChI=1S/C8H18S/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3 |
| InChIKey | BZXFEMZFRLXGCY-UHFFFAOYSA-N |
| SMILES | C(CCCC)CC(S)C |
| NIST Chemistry Reference | 2-Octanethiol(3001-66-9) |
| EPA Substance Registry System | 2-Octanethiol (3001-66-9) |
