(-)-Gallocatechin gallate
- Product Name(-)-Gallocatechin gallate
- CAS4233-96-9
- CBNumberCB8774785
- MFC22H18O11
- MW458.37
- EINECS636-979-1
- MDL NumberMFCD00214298
- MOL File4233-96-9.mol
- MSDS FileSDS
Chemical Properties
| Melting point | >179oC (dec.) |
| Boiling point | 909.1±65.0 °C(Predicted) |
| Density | 1.90±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| pka | 7.75±0.25(Predicted) |
| form | Solid |
| color | Off-White to Pale Brown |
| biological source | green tea |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| InChI | 1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m1/s1 |
| InChIKey | WMBWREPUVVBILR-NQIIRXRSSA-N |
| SMILES | Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c4cc(O)c(O)c(O)c4 |
| LogP | 2.080 (est) |
| CAS DataBase Reference | 4233-96-9(CAS DataBase Reference) |
| FDA UNII | IRW3C4Y31Q |
| UNSPSC Code | 85151701 |
| NACRES | NA.77 |
Safety
| Symbol(GHS) |
|
|||||||||
| Signal word | Warning | |||||||||
| Hazard statements | H302-H315-H319-H335 | |||||||||
| Precautionary statements | P261-P305+P351+P338 | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-36-26/36 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | DH9000000 | |||||||||
| HS Code | 29329990 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 | |||||||||
| NFPA 704: |
|
