Dehydrocholic acid

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)

Symbol(GHS):
Signal word:	Warning
Hazard statements:	Code Hazard statements Hazard class Category Signal word Pictogram P-Codes H303 May be harmfulif swallowed Acute toxicity,oral Category 5 P312
Precautionary statements:	P270 Do not eat, drink or smoke when using this product. P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P403 Store in a well-ventilated place.