Melting point: |
49-50 °C |
Boiling point: |
470.4±40.0 °C(Predicted) |
Density |
0.987±0.06 g/cm3(Predicted) |
Flash point: |
9℃ |
storage temp. |
-20°C |
solubility |
Soluble to 100 mM in ethanol and to 100 mM in DMSO |
form |
White to off-white powder. |
pka |
9.71±0.40(Predicted) |
InChI |
InChI=1S/C21H32O2/c1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b17-12+ |
InChIKey |
QXACEHWTBCFNSA-SFQUDFHCSA-N |
SMILES |
C1(O)=CC(CCCCC)=CC(O)=C1C/C=C(\C)/CC/C=C(/C)\C |
LogP |
7.470 (est) |