| Melting point |
166-169 °C(Solv: chloroform (67-66-3)) |
| Boiling point |
424.6±45.0 °C(Predicted) |
| Density |
1.18±0.1 g/cm3(Predicted) |
| storage temp. |
2-8°C |
| solubility |
methanol: soluble1mg/mL, clear, colorless |
| pka |
10.73±0.60(Predicted) |
| form |
powder or crystals |
| color |
white to off-white |
| biological source |
Atractylodes macrocephala Koidz. |
| Henry's Law Constant |
1.0×103 mol/(m3Pa) at 25℃, HSDB (2015) |
| Major Application |
metabolomics
vitamins, nutraceuticals, and natural products |
| InChI |
InChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3/t11-,14+,15-/m0/s1 |
| InChIKey |
FBMORZZOJSDNRQ-GLQYFDAESA-N |
| SMILES |
O1C(=O)C(C)=C2C[C@]3([H])[C@@](C)(C[C@]12O)CCCC3=C |
