Cyclopentylphenylglykolsure
Bezeichnung:Cyclopentylphenylglykolsure
CAS-Nr427-49-6
Englisch Name:alpha-Cyclopentylmandelic acid
CBNumberCB1751794
SummenformelC13H16O3
Molgewicht220.27
MOL-Datei427-49-6.mol
Synonyma
Cyclopentylphenylglykolsure
Cyclopentylphenylglykolsure physikalisch-chemischer Eigenschaften
| Schmelzpunkt | 144-150 °C |
| Siedepunkt | 110 °C (0.5 mmHg) |
| Dichte | 1.247±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| pka | 3.53±0.25(Predicted) |
| Aggregatzustand | Solid |
| Farbe | 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 Datenbank | 427-49-6(CAS DataBase Reference) |
| Kennzeichnung gefährlicher | C,Xi |
| R-Sätze: | 34-41-37/38 |
| S-Sätze: | 45-36/37/39-26-39 |
| RIDADR | 3261 |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| PackingGroup | III |
| HS Code | 29163990 |
