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Hyodeoxycholic acid  Structure

Hyodeoxycholic acid

  • Product NameHyodeoxycholic acid
  • CAS83-49-8
  • CBNumberCB4462501
  • MFC24H40O4
  • MW392.58
  • EINECS201-483-2
  • MDL NumberMFCD00003681
  • MOL File83-49-8.mol

Chemical Properties

Melting point: 200-201 °C (lit.)
alpha  D20 +8° (alc)
Boiling point: 437.26°C (rough estimate)
Density  0.9985 (rough estimate)
refractive index  1.4460 (estimate)
storage temp.  Refrigerator
solubility  Solubility in methanol, very faint turbidity. Slightly soluble in alcohol, acetone, ether and very slightly soluble in chloroform.
pka 4.76±0.10(Predicted)
form  Solid
color  White to Off-White
Water Solubility  5.889mg/L(25 ºC)
Merck  14,4857
InChIKey DGABKXLVXPYZII-SIBKNCMHSA-N
SMILES C[C@]12CC[C@@H](O)C[C@@]1([H])[C@@H](O)C[C@@]1([H])[C@]3([H])CC[C@]([H])([C@H](C)CCC(=O)O)[C@@]3(C)CC[C@]21[H] |&1:1,4,7,9,12,14,18,20,27,31,r|
CAS DataBase Reference 83-49-8(CAS DataBase Reference)

Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P280a-P304+P340-P305+P351+P338-P405-P501a
PPE Eyeshields, Gloves, type N95 (US)
Hazard Codes  Xn
Risk Statements  36/37/38-40
Safety Statements  26-36/37/39-36-22-37
WGK Germany  3
RTECS  FZ2050000
HS Code  29181990
Storage Class 11 - Combustible Solids
NFPA 704:
0
2 0

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Hyodeoxycholic acid Chemical Properties,Usage,Production

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