alpha-Cyclopentylmandelic acid
- Product Namealpha-Cyclopentylmandelic acid
- CAS427-49-6
- CBNumberCB1751794
- MFC13H16O3
- MW220.27
- EINECS207-047-8
- MDL NumberMFCD00019296
- MOL File427-49-6.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 144-150 °C |
| Boiling point | 110 °C (0.5 mmHg) |
| Density | 1.247±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| pka | 3.53±0.25(Predicted) |
| form | Solid |
| color | White to pale brown |
| InChI | InChI=1S/C13H16O3/c14-12(15)13(16,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15) |
| InChIKey | WFLUEQCOAQCQLP-UHFFFAOYSA-N |
| SMILES | C(C1CCCC1)(C1C=CC=CC=1)(O)C(=O)O |
| LogP | 2.770 (est) |
| CAS DataBase Reference | 427-49-6(CAS DataBase Reference) |
| FDA UNII | XY6HY5ZM28 |
Safety
| Symbol(GHS) |
 
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| Signal word | Danger | |||||||||
| Hazard statements | H315-H318-H335 | |||||||||
| Precautionary statements | P280-P305+P351+P338+P310 | |||||||||
| Hazard Codes | C,Xi | |||||||||
| Risk Statements | 34-41-37/38 | |||||||||
| Safety Statements | 45-36/37/39-26-39 | |||||||||
| RIDADR | 3261 | |||||||||
| WGK Germany | 3 | |||||||||
| HazardClass | IRRITANT | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29163990 | |||||||||
| NFPA 704: |
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