N-HEPTYL-BETA-D-THIOGLUCOPYRANOSIDE
- Product NameN-HEPTYL-BETA-D-THIOGLUCOPYRANOSIDE
- CAS85618-20-8
- MFC13H26O5S
- MW294.41
- EINECS1533716-785-6
- MOL File85618-20-8.mol
Chemical Properties
| Melting point | 96.1-98.3°C |
| Boiling point | 479.9±45.0 °C(Predicted) |
| Density | 1.23±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | methanol: 0.1 g/mL, clear, yellow |
| form | Solid |
| pka | 13.02±0.70(Predicted) |
| color | White Waxy |
| BRN | 6057483 |
| InChI | 1S/C13H26O5S/c1-2-3-4-5-6-7-19-13-12(17)11(16)10(15)9(8-14)18-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12-,13+/m1/s1 |
| InChIKey | HPEGNLMTTNTJSP-LBELIVKGSA-N |
| SMILES | CCCCCCCS[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| CAS DataBase Reference | 85618-20-8(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 22-24/25-36-26 |
| WGK Germany | 3 |
| F | 3-10 |
| HS Code | 29329990 |
| Storage Class | 11 - Combustible Solids |
