Melting point |
205-208 °C |
Boiling point |
401.19°C (rough estimate) |
Density |
1.22±0.1 g/cm3 (20 ºC 760 Torr) |
refractive index |
120 ° (C=1, Dioxane) |
Flash point |
9℃ |
storage temp. |
Sealed in dry,Room Temperature |
solubility |
Dioxane (Slightly, Heated, Sonicated), DMSO (Slightly), Methanol (Slightly, Heated) |
pka |
12?+-.0.60(Predicted) |
form |
Solid |
color |
White to Off-White |
Water Solubility |
44.08mg/L(37 ºC) |
Merck |
14,2932 |
InChI |
InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1 |
InChIKey |
WHBHBVVOGNECLV-OBQKJFGGSA-N |
SMILES |
C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@](O)(C(=O)CO)CC3)CC2 |
CAS DataBase Reference |
152-58-9(CAS DataBase Reference) |