(-)-3-Dehydroshikimic acid
- Product Name(-)-3-Dehydroshikimic acid
- CAS2922-42-1
- CBNumberCB7167702
- MFC7H8O5
- MW172.14
- MDL NumberMFCD00216518
- MOL File2922-42-1.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 150-152 °C |
| Boiling point | 405.1±45.0 °C(Predicted) |
| Density | 1.713±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | Methanol (Slightly), Water (Slightly) |
| form | Solid |
| pka | 3.03±0.60(Predicted) |
| color | Off-White to Beige |
| optical activity | [α]/D -59.0±3.0°, c = 1 in ethanol |
| Stability | Temperature Sensitive |
| InChI | 1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12)/t5-,6-/m1/s1 |
| InChIKey | SLWWJZMPHJJOPH-PHDIDXHHSA-N |
| SMILES | O[C@@H]1CC(=CC(=O)[C@H]1O)C(O)=O || O[C@@H]1CC(=CC(=O)[C@H]1O)C(O)=O |
| UNSPSC Code | 12352106 |
| NACRES | NA.25 |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H319 |
| Precautionary statements | P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | 36 |
| Safety Statements | 26 |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 |
