(2S,4S)-(+)-Pentanediol
- Product Name(2S,4S)-(+)-Pentanediol
- CAS72345-23-4
- CBNumberCB1736339
- MFC5H12O2
- MW104.15
- MDL NumberMFCD00064276
- MOL File72345-23-4.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 45-48 °C (lit.) |
| Boiling point | 111-113C |
| alpha | +41.2° (c 10, CHCl3) |
| Density | 0.9917 (rough estimate) |
| refractive index | 54 ° (C=10, EtOH) |
| Flash point | 215 °F |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | almost transparency in EtOH |
| pka | 14.74±0.20(Predicted) |
| form | Crystalline Powder |
| color | White |
| optical activity | [α]20/D +39.8°, c = 10 in chloroform |
| BRN | 4123490 |
| Stability | hygroscopic |
| InChI | 1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3/t4-,5-/m0/s1 |
| InChIKey | GTCCGKPBSJZVRZ-WHFBIAKZSA-N |
| SMILES | C[C@H](O)C[C@H](C)O |
| CAS DataBase Reference | 72345-23-4(CAS DataBase Reference) |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302-H315-H319-H335 | |||||||||
| Precautionary statements | P261-P280-P301+P312-P302+P352-P305+P351+P338 | |||||||||
| 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 | |||||||||
| NFPA 704: |
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