3371-27-5
| Name | (-)-GALLOCATECHIN |
| CAS | 3371-27-5 |
| Molecular Formula | C15H14O7 |
| MDL Number | MFCD01632616 |
| Molecular Weight | 306.27 |
| MOL File | 3371-27-5.mol |
Chemical Properties
| Melting point | 200℃ |
| Boiling point | 685.6±55.0 °C(Predicted) |
| density | 1.695±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | H2O: 5 mg/mL with brief sonication |
| form | Solid |
| pka | 9.02±0.15(Predicted) |
| color | Pale Grey |
| Water Solubility | H2O: 5mg/mL (he at 2-10 min at 105C) alcohol: soluble |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| InChI | InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m1/s1 |
| InChIKey | XMOCLSLCDHWDHP-DOMZBBRYSA-N |
| SMILES | [C@@H]1(C2=CC(O)=C(O)C(O)=C2)OC2=CC(O)=CC(O)=C2C[C@H]1O |
| LogP | -0.100 (est) |
Safety Data
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| HS Code | 29339900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |