6894-43-5

Name KAHWEOL
CAS 6894-43-5
Molecular Formula C20H26O3
MDL Number MFCD00171665
Molecular Weight 314.42
MOL File 6894-43-5.mol
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Chemical Properties

Melting point  88-90℃
Boiling point  476.6±45.0 °C(Predicted)
density  1.25±0.1 g/cm3(Predicted)
storage temp.  −20°C
solubility  DMF:5.0(Max Conc. mg/mL);0.64(Max Conc. mM)
DMSO:18.17(Max Conc. mg/mL);57.77(Max Conc. mM)
Ethanol:5.0(Max Conc. mg/mL);0.64(Max Conc. mM)
Ethanol:PBS (pH 7.2) (1:5):0.02(Max Conc. mg/mL);0.06(Max Conc. mM)
form  White to off-white solid.
pka 14.43±0.40(Predicted)
color  Off-white to light yellow
Major Application food and beverages
InChI 1S/C20H26O3/c1-18-7-5-16-14(6-9-23-16)15(18)4-8-19-10-13(2-3-17(18)19)20(22,11-19)12-21/h5-7,9,13,15,17,21-22H,2-4,8,10-12H2,1H3/t13-,15-,17+,18-,19+,20+/m1/s1
InChIKey JEKMKNDURXDJAD-HWUKTEKMSA-N
SMILES CC12C=Cc3occc3C1CCC45CC(CCC24)C(O)(CO)C5
LogP 3.380 (est)

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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