521-62-0

Name FRANGULIN A
CAS 521-62-0
EINECS(EC#) 208-316-2
Molecular Formula C21H20O9
MDL Number MFCD00016363
Molecular Weight 416.38
MOL File 521-62-0.mol
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Chemical Properties

Melting point  230°C
Boiling point  744.3±60.0 °C(Predicted)
density  1.597±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.  2-8°C
solubility  Ethanol: slightly soluble; Methanol: slightly soluble
form  neat
pka 6.00±0.20(Predicted)
BRN  59993
Major Application food and beverages
InChI 1S/C21H20O9/c1-7-3-10-14(12(22)4-7)18(26)15-11(17(10)25)5-9(6-13(15)23)30-21-20(28)19(27)16(24)8(2)29-21/h3-6,8,16,19-24,27-28H,1-2H3/t8-,16-,19+,20+,21-/m0/s1
InChIKey DTTVUKLWJFJOHO-FUCRAMRQSA-N
SMILES C[C@@H]1O[C@@H](OC2=CC(O)=C3C(C(C(C=C(C)C=C4O)=C4C3=O)=O)=C2)[C@H](O)[C@H](O)[C@H]1O
LogP 4.340 (est)

Safety Data

Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

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