3-O-Feruloylquinic acid Structure

3-O-Feruloylquinic acid

Chemical Properties

Melting point 196-197 °C
Boiling point 629.4±55.0 °C(Predicted)
Density  1.53±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form  Powder
pka 3.91±0.50(Predicted)
color  White to off-white
Major Application food and beverages
pharmaceutical
InChI InChI=1/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/t11-,13-,15-,17+/s3
InChIKey RAGZUCNPTLULOL-BJICVBJGNA-N
SMILES [C@]1(O)(C(O)=O)C[C@H](OC(=O)C=CC2=CC=C(O)C(OC)=C2)[C@@H](O)[C@@H](O)C1 |&1:0,6,21,23,r|
UNSPSC Code 41116107
NACRES NA.24

Safety

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

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