427-49-6
| Name | alpha-Cyclopentylmandelic acid |
| CAS | 427-49-6 |
| EINECS(EC#) | 207-047-8 |
| Molecular Formula | C13H16O3 |
| MDL Number | MFCD00019296 |
| Molecular Weight | 220.26 |
| MOL File | 427-49-6.mol |
Chemical Properties
| Appearance | white to beige powder |
| 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) |
| form | Solid |
| pka | 3.53±0.25(Predicted) |
| 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) |
Safety Data
| Symbol(GHS) |   GHS05,GHS07 |
| Signal word | Danger |
| Hazard statements | H315-H318-H335 |
| Precautionary statements | P280-P305+P351+P338+P310 |
| Hazard Codes | C,Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | 3261 |
| WGK Germany | 3 |
| REACH Registrations | Active |
| HazardClass | IRRITANT |
| PackingGroup | III |
| HS Code | 29163990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Dam. 1 Skin Irrit. 2 STOT SE 3 |