Rosmarinic acid
Bezeichnung:Rosmarinic acid
CAS-Nr20283-92-5
Englisch Name:Rosmarinic acid
CBNumberCB0767565
SummenformelC18H16O8
Molgewicht360.31
MOL-Datei20283-92-5.mol
Rosmarinic acid physikalisch-chemischer Eigenschaften
| Schmelzpunkt | 171-175 °C (lit.) |
| alpha | +102～+110°(D/20℃)(c=0.2,C2H5OH) |
| Siedepunkt | 694.7±55.0 °C(Predicted) |
| Dichte | 1.33 |
| storage temp. | 2-8°C |
| Löslichkeit | Soluble in ethanol, DMSO or dimethyl formamide to approximately 25 mg/mL. |
| pka | 2.78±0.10(Predicted) |
| Aggregatzustand | powder |
| Farbe | white to faintly beige |
| BRN | 2227587 |
| Stabilität | Stable for 1 year from date of purchase as supplied. Solutions in DMSO or distilled water may be stored at -20° for up to 1 month. |
| InChI | InChI=1/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/s3 |
| InChIKey | DOUMFZQKYFQNTF-WUTVXBCWSA-N |
| SMILES | C(C1C=CC(O)=C(O)C=1)[C@H](C(=O)O)OC(=O)/C=C/C1C=CC(O)=C(O)C=1 |&1:9,r| |
| LogP | 0.871 (est) |
| CAS Datenbank | 20283-92-5(CAS DataBase Reference) |
| Kennzeichnung gefährlicher | T |
| R-Sätze: | 25 |
| S-Sätze: | 45 |
| WGK Germany | 3 |
| RTECS-Nr. | GD8990000 |
| F | 10-23 |
| HS Code | 29189900 |
