(3S,6S)-3,6-Octanediol
- Product Name(3S,6S)-3,6-Octanediol
- CAS136705-66-3
- CBNumberCB0689975
- MFC8H18O2
- MW146.23
- MDL NumberMFCD01631088
- MOL File136705-66-3.mol
Chemical Properties
| Melting point | 49-51°C |
| alpha | +15° (c 10, ethanol) |
| Boiling point | 243.79°C (rough estimate) |
| Density | 0.9636 (rough estimate) |
| refractive index | 1.4411 (estimate) |
| storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C |
| form | crystal |
| pka | 14.86±0.20(Predicted) |
| color | colorless |
| InChI | InChI=1S/C8H18O2/c1-3-7(9)5-6-8(10)4-2/h7-10H,3-6H2,1-2H3/t7-,8-/m0/s1 |
| InChIKey | BCKOQWWRTRBSGR-YUMQZZPRSA-N |
| SMILES | CC[C@H](O)CC[C@@H](O)CC |
| CAS DataBase Reference | 136705-66-3 |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
| Safety Statements | 24/25 |