96862-01-0

Name Quercetin 3-O-malonylglucoside
CAS 96862-01-0
Molecular Formula C24H22O15
MDL Number MFCD20527305
Molecular Weight 550.42
MOL File 96862-01-0.mol

Chemical Properties

Melting point  195-201 °C
Boiling point  957.2±65.0 °C(Predicted)
density  1.86±0.1 g/cm3(Predicted)
storage temp.  -20°C
solubility  DMSO (Slightly), Water (Slightly, Heated)
form  Solid
pka 2.70±0.32(Predicted)
color  Pale Yellow to Light Yellow
BRN  6625918
Stability: Hygroscopic
InChIKey NBQPHANHNTWDML-UJKBSQBPSA-N
SMILES O[C@H]1[C@H](O)[C@@H](COC(=O)CC(O)=O)O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[C@@H]1O

Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)
GHS06
Signal word  Danger
Hazard statements  H301
Precautionary statements  P301+P310
Hazard Codes  T
Risk Statements 
Safety Statements 
RIDADR  UN 2811 6.1 / PGIII
WGK Germany  3
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral

Hazard Information

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