Rosmarinic acid racemate
- Product NameRosmarinic acid racemate
- CAS537-15-5
- CBNumberCB3767566
- MFC18H16O8
- MW360.32
- MDL NumberMFCD00017740
- MOL File537-15-5.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 171-175 °C(lit.) |
| Boiling point | 694.7±55.0 °C(Predicted) |
| Density | 1.547±0.06 g/cm3(Predicted) |
| storage temp. | Store at -20°C |
| solubility | Soluble in DMSO |
| pka | 2.81±0.10(Predicted) |
| form | Solid |
| color | White to off-white |
| Henry's Law Constant | 3.7×1021 mol/(m3Pa) at 25℃, HSDB (2015) |
| InChI | InChI=1S/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) |
| InChIKey | DOUMFZQKYFQNTF-UHFFFAOYSA-N |
| SMILES | C(C1C=CC(=C(C=1)O)O)C(C(=O)O)OC(=O)C=CC1C=CC(=C(C=1)O)O |
| FDA UNII | MQE6XG29YI |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 |
| Hazard Codes | Xi |
| Risk Statements | 36/38 |
| Safety Statements | 26-37/39 |
| WGK Germany | 3 |
| RTECS | GD8990000 |
| F | 10-23 |
| Hazardous Substances Data | 537-15-5(Hazardous Substances Data) |
