CASTICIN Structure

CASTICIN

Chemical Properties

Melting point 186-187 °C
Boiling point 617.7±55.0 °C(Predicted)
Density  1.44±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  ethanol: soluble1mg/mL, clear, colorless to light yellow
form  Solid
pka 6.13±0.40(Predicted)
color  Yellow
BRN  1300392
Major Application pharmaceutical (small molecule)
InChI InChI=1S/C19H18O8/c1-23-11-6-5-9(7-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3
InChIKey PJQLSMYMOKWUJG-UHFFFAOYSA-N
SMILES C1(C2=CC=C(OC)C(O)=C2)OC2=CC(OC)=C(OC)C(O)=C2C(=O)C=1OC
CAS DataBase Reference 479-91-4(CAS DataBase Reference)
FDA UNII 753GT729OU
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H315-H319
Precautionary statements P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety Statements  22-24/25
WGK Germany  3
HS Code  29329990
Storage Class 11 - Combustible Solids

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