27208-80-6

Name Polydatin
CAS 27208-80-6
Molecular Formula C20H22O8
MDL Number MFCD00210592
Molecular Weight 390.38
MOL File 27208-80-6.mol

Chemical Properties

Melting point  223-226 °C(lit.)
alpha  -77.5 º (c=0.2, EtOH)
Boiling point  707.7±60.0 °C(Predicted)
density  1.521±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,2-8°C
solubility  DMSO, Ethanol, Methanol
form  Solid
pka 9.21±0.10(Predicted)
color  Off-White
λmax 305nm(EtOH)(lit.)
Major Application food and beverages
InChI InChI=1/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/s3
InChIKey HSTZMXCBWJGKHG-RPHGGTSJNA-N
SMILES O(C1C=C(O)C=C(/C=C/C2C=CC(O)=CC=2)C=1)[C@H]1[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)O |&1:17,18,19,21,23,r|
LogP 0.412 (est)
CAS DataBase Reference 27208-80-6(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H319
Precautionary statements  P264-P280-P305+P351+P338-P337+P313
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
HS Code  29389090
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2

Hazard Information

Spectrum Detail

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