130405-40-2
| Name | (-)-CATECHIN GALLATE |
| CAS | 130405-40-2 |
| Molecular Formula | C22H18O10 |
| MDL Number | MFCD00214258 |
| Molecular Weight | 442.37 |
| MOL File | 130405-40-2.mol |
Chemical Properties
| Melting point | 248-251 °C (decomp) |
| Boiling point | 861.7±65.0 °C(Predicted) |
| density | 1.80±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | DMSO (Slightly), Ethanol (Slightly) |
| form | Solid |
| pka | 7.75±0.25(Predicted) |
| color | Pale Yellow to Light Red |
| biological source | green tea |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| InChI | 1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1 |
| InChIKey | LSHVYAFMTMFKBA-CTNGQTDRSA-N |
| SMILES | Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c4ccc(O)c(O)c4 |
| LogP | 2.670 (est) |
Safety Data
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| HS Code | 29329990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |