35730-78-0

Name cynaropicrin
CAS 35730-78-0
Molecular Formula C19H22O6
MDL Number MFCD31614147
Molecular Weight 346.37
MOL File 35730-78-0.mol

Chemical Properties

Boiling point  566.2±50.0 °C(Predicted)
density  1.28±0.1 g/cm3 (20 ºC 760 Torr)
storage temp.  -20°C, protect from light
solubility  DMSO:50.0(Max Conc. mg/mL);144.35(Max Conc. mM)
form  Oil
pka 13.52±0.10(Predicted)
color  Off-white to light yellow
biological source plant
Major Application metabolomics
vitamins, nutraceuticals, and natural products
InChI 1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1
InChIKey KHSCYOFDKADJDJ-NQLMQOPMSA-N
SMILES O1[C@@H]2[C@@H]3[C@@H](C[C@@H](C3=C)O)C(=C)C[C@@H]([C@H]2C(=C)C1=O)OC(=O)C(=C)CO
LogP 1.340 (est)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H317
Precautionary statements  P261-P272-P280-P333+P313-P362+P364-P501
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Skin Sens. 1

Hazard Information

Supplier