schisanhenol Structure

schisanhenol

Chemical Properties

Melting point 130 °C
Boiling point 563.9±50.0 °C(Predicted)
Density  1.118±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.  2-8°C
solubility  Soluble in chloroform and DMSO
pka 8.96±0.60(Predicted)
form  powder to crystal
color  White to Almost white
InChI InChI=1/C23H30O6/c1-12-8-14-10-16(25-3)21(27-5)20(24)18(14)19-15(9-13(12)2)11-17(26-4)22(28-6)23(19)29-7/h10-13,24H,8-9H2,1-7H3/t12-,13+/s3
InChIKey FYSHYFPJBONYCQ-JNEKIBDFNA-N
SMILES C12=CC(OC)=C(OC)C(O)=C1C1=C(OC)C(OC)=C(OC)C=C1C[C@@H](C)[C@@H](C)C2 |&1:24,26,r|
CAS DataBase Reference 69363-14-0
FDA UNII 80Y5907NIW
UNSPSC Code 41116107
NACRES NA.24

Safety

WGK Germany  WGK 3
HS Code  2909.30.6000
Storage Class 11 - Combustible Solids

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