4-Benzoylbuttersaeure
Bezeichnung:4-Benzoylbuttersaeure
CAS-Nr1501-05-9
Englisch Name:4-BENZOYLBUTYRIC ACID
CBNumberCB0733962
SummenformelC11H12O3
Molgewicht192.21
MOL-Datei1501-05-9.mol
Synonyma
4-Benzoylbuttersaeure
4-Benzoylbuttersaeure physikalisch-chemischer Eigenschaften
| Schmelzpunkt | 126-129 °C(lit.) |
| Siedepunkt | 380.8±25.0 °C(Predicted) |
| Dichte | 1.164±0.06 g/cm3(Predicted) |
| storage temp. | Store at room temperature |
| Aggregatzustand | Crystalline Powder |
| pka | 4.63±0.10(Predicted) |
| Farbe | Off-white to light beige |
| Wasserlöslichkeit | Insoluble in water. |
| BRN | 641947 |
| InChI | InChI=1S/C11H12O3/c12-10(7-4-8-11(13)14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14) |
| InChIKey | SHKWSBAVRQZYLE-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC=C1)C(=O)CCCC(=O)O |
| CAS Datenbank | 1501-05-9(CAS DataBase Reference) |
| Kennzeichnung gefährlicher | Xi |
| R-Sätze: | 36/37/38 |
| S-Sätze: | 26-36-37/39 |
| WGK Germany | 3 |
| HS Code | 29183000 |
| Speicherklasse | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
