(2R,4R)-(-)-Pentanediol
- Product Name(2R,4R)-(-)-Pentanediol
- CAS42075-32-1
- MFC5H12O2
- MW104.15
- EINECS
- MOL File42075-32-1.mol
Chemical Properties
| Melting point | 48-50 °C(lit.) |
| Boiling point | 111-113 °C19 mm Hg(lit.) |
| alpha | -41.2° (c 10, CHCl3) |
| Density | 0.9917 (rough estimate) |
| refractive index | -53.5 ° (C=10, EtOH) |
| Flash point | 215 °F |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | almost transparency in EtOH |
| form | crystal |
| pka | 14.74±0.20(Predicted) |
| color | white |
| optical activity | [α]21/D 40.4°, c = 10 in chloroform |
| BRN | 4290613 |
| Stability | hygroscopic |
| InChI | 1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3/t4-,5-/m1/s1 |
| InChIKey | GTCCGKPBSJZVRZ-RFZPGFLSSA-N |
| SMILES | C[C@@H](O)C[C@@H](C)O |
| CAS DataBase Reference | 42075-32-1(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 | 29053990 |
| Storage Class | 11 - Combustible Solids |