105-09-9
| Name | 1,4-BENZENEDIMETHANETHIOL |
| CAS | 105-09-9 |
| EINECS(EC#) | 203-269-4 |
| Molecular Formula | C8H10S2 |
| MDL Number | MFCD00004872 |
| Molecular Weight | 170.29 |
| MOL File | 105-09-9.mol |
Chemical Properties
| Melting point | 45-46 °C (lit.) |
| Boiling point | 156 °C/12 mmHg (lit.) |
| density | 1.1604 (rough estimate) |
| refractive index | 1.6210 (estimate) |
| Fp | >230 °F |
| storage temp. | Inert atmosphere,Room Temperature |
| form | powder to lump |
| pka | 9.41±0.10(Predicted) |
| color | White to Almost white |
| InChI | InChI=1S/C8H10S2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2 |
| InChIKey | IYPNRTQAOXLCQW-UHFFFAOYSA-N |
| SMILES | C1(CS)=CC=C(CS)C=C1 |
| CAS DataBase Reference | 105-09-9(CAS DataBase Reference) |
| EPA Substance Registry System | 1,4-Benzenedimethanethiol (105-09-9) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 3335 |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HS Code | 2930909899 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |