| Melting point |
238-240 °C |
| alpha |
29 º (c=2, dioxane) |
| Boiling point |
444.65°C (rough estimate) |
| Density |
1.0687 (rough estimate) |
| vapor pressure |
0.013Pa at 20℃ |
| refractive index |
30.5 ° (C=2, Dioxane) |
| storage temp. |
Sealed in dry,Room Temperature |
| solubility |
ethanol: 10 mg/mL |
| form |
Solid |
| pka |
pKa 5.12(H2O
t = 20
c > CMC) (Uncertain) |
| color |
White to Off-White |
| biological source |
bovine bile
synthetic |
| optical activity |
[α]20/D +26±1°, c =1% in ethanol |
| Water Solubility |
65mg/L(30 ºC) |
| Merck |
14,2868 |
| BRN |
3226734 |
| Major Application |
pharmaceutical (small molecule) |
| InChIKey |
OHXPGWPVLFPUSM-KLRNGDHRSA-N |
| SMILES |
[H][C@@]12CC(=O)CC[C@]1(C)[C@@]3([H])CC(=O)[C@]4(C)[C@H](CC[C@@]4([H])[C@]3([H])C(=O)C2)[C@H](C)CCC(O)=O |
| LogP |
1.64 at 22℃ and pH5.7 |
| Surface tension |
56.9mN/m at 63mg/L and 20℃ |
| CAS DataBase Reference |
81-23-2(CAS DataBase Reference) |
| NIST Chemistry Reference |
Dehydrocholic acid(81-23-2) |
| EPA Substance Registry System |
Cholan-24-oic acid, 3,7,12-trioxo-, (5.beta.)- (81-23-2) |
