40242-06-6

Name 5-O-Feruloylquinic acid
CAS 40242-06-6
Molecular Formula C17H20O9
MDL Number MFCD34470870
Molecular Weight 368.34
MOL File 40242-06-6.mol
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Chemical Properties

Melting point  199-200 °C(Solv: water (7732-18-5))
Boiling point  629.4±55.0 °C(Predicted)
density  1.53±0.1 g/cm3(Predicted)
storage temp.  -20°C
solubility  DMSO: soluble
form  A solid
pka 3.91±0.50(Predicted)
color  White to off-white
Major Application food and beverages
pharmaceutical
InChIKey RAGZUCNPTLULOL-JSHWQEIDSA-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

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P264-P270-P301+P312-P330-P501
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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