| Melting point |
165-166 °C(lit.) |
| Boiling point |
407.89°C (rough estimate) |
| Density |
1.0998 (rough estimate) |
| refractive index |
1.5192 (estimate) |
| storage temp. |
Sealed in dry,2-8°C |
| solubility |
Chloroform (Slightly), Methanol (Slightly) |
| form |
Solid |
| pka |
14.52±0.70(Predicted) |
| color |
White to Off-White |
| Water Solubility |
116.4mg/L(37 ºC) |
| InChI |
InChI=1/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18+,19+,20-,21+/s3 |
| InChIKey |
BFZHCUBIASXHPK-UKNJDBHDNA-N |
| SMILES |
C[C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CC[C@H](C(=O)C)[C@@]3(C)C[C@@H](O)[C@]21[H] |&1:1,10,12,16,20,23,25,r| |
| CAS DataBase Reference |
80-75-1(CAS DataBase Reference) |
