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(-)-Gallocatechin gallate Structure

(-)-Gallocatechin gallate

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)

Safety Information

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

MSDS

Usage And Synthesis

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