4192-90-9

Name PRUNINDIHYDROCHALCONE
CAS 4192-90-9
Molecular Formula C21H24O10
MDL Number MFCD21333313
Molecular Weight 436.41
MOL File 4192-90-9.mol
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Chemical Properties

Melting point  170-173 °C
Boiling point  787.9±60.0 °C(Predicted)
density  1.555±0.06 g/cm3(Predicted)
FEMA  4674 | TRILOBATIN
storage temp.  4°C, protect from light
solubility  DMF: 20 mg/ml; DMSO: 25 mg/ml; Ethanol: 20 mg/ml; PBS (pH 7.2): 0.1 mg/ml
form  A crystalline solid
pka 6.85±0.40(Predicted)
color  White to off-white
JECFA Number 2171
InChIKey GSTCPEBQYSOEHV-LKLLPNDVNA-N
SMILES C(C1C(=CC(O[C@H]2[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O2)O)=CC=1O)O)(=O)CCC1C=CC(O)=CC=1 |&1:6,7,8,10,12,r|
LogP 1.36

Safety Data

WGK Germany  WGK 3
HS Code  29329990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

Hazard Information

Spectrum Detail

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