Cholic acid Cholic acid

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:81-25-4

MDL number:MFCD00003672

EINECS number:201-337-8

RTECS number:FZ9350000

BRN number:2822009

PubChem number:24892356

Physical property data

1. Characteristics: This product exists in the bile of cattle, sheep and pigs. It is colorless flakes or white crystalline powder. The taste is sweet at first and then bitter.

2. Density (g/mL, 25/4℃): Uncertain

3. Relative vapor density (g/mL, air=1): Uncertain

4. Melting point (ºC): Anhydrous melting point 198℃

5. Boiling point (ºC, normal pressure): Uncertain

6. Boiling point (ºC, 5.2 kPa): Uncertain

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Specific rotation (º ): [α] 20D is +37° (in ethanol)

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25ºC ): Uncertain

12. Saturated vapor pressure (kPa, 60ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Log value of oil-water (octanol/water) partition coefficient: Uncertain OK

17. Explosion upper limit (%, V/V): Uncertain

18. Explosion lower limit (%, V/V): Uncertain

19. Solubility: Soluble in solutions of alkali metal hydroxides or carbonates.

Toxicological data

1. Acute toxicity

Mouse caliber LC50: 4950mg/kg; Mouse intravenous LC50: 330mg/kg;

2. Teratogenicity

Salmonella: 50mg/L;

Yeast: 93200 umol/L; Yeast: 400 mg/L;

Rat: 7560 mg/kg/6W

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 111.24

2. Molar volume (cm³/mol): 344.8

3. Isotonic specific volume (90.2K ): 920.9

4. Surface tension (dyne/cm): 50.8

5. Polarizability (10^-24cm³): 44.09

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 3.6

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 4

5. Topological molecular polar surface area (TPSA): 98

6. Number of heavy atoms: 29

7. Surface charge: 0

8. Complexity: 637

9. Number of isotope atoms: 0

10. Determine the number of atomic stereocenters : 11

11. Uncertain number of atomic stereocenters: 0

12. Determined number of chemical bond stereocenters: 0

13. Uncertain chemical bond formation Number of structural centers: 0

14. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

Multi-layer kraft paper bags wrapped in plastic bags are sealed and packaged with light or sealed in brown glass bottles. Store in low temperature dry warehouse.

Synthesis method

1. There are ethanol crystallization method and ethyl acetate separation method. The ethyl acetate separation method uses ethyl acetate to dissolve and remove deoxycholic acid, and then further purifies it with ethanol to obtain the product. The production process of the ethanol crystallization method is:

Hydrolysis of cattle and sheep bile ↓Acidification with sodium hydroxide ↓Crude bile acid sulfate

Dissolution, crystallization and recrystallization ↓Refined bile acid with ethanol

Add 1/10 amount of sodium hydroxide to the bile of cattle and sheep, heat to boiling, and hydrolyze for 18 hours. The hydrolyzate is cooled, the supernatant is poured out, and the lower layer is filtered. The supernatant and filtrate are combined, and 30% sulfuric acid is added to make the pH = 2 to 3. At this time, crude bile acid floats in the liquid layer. Take the supernatant, add an equal amount of water and boil for 10 to 20 minutes to precipitate into granules, rinse with water repeatedly until neutral, and dry at 50 to 60°C to obtain crude bile acid. Take the crude bile acid, mash it, add 0.75 times 75% ethanol, heat and stir, reflux until the solid is fully dissolved, and then crystallize it at 0 to 5°C. The crystals are suction filtered or centrifuged to dryness, washed with a small amount of 80% ethanol, and dried to obtain crude bile acid crystals. Take the crude crystals of cholic acid, add 4 times the amount of 95% ethanol and 4% to 5% activated carbon, heat, stir, and reflux until fully dissolved, then filter while hot. The filtrate is concentrated to about 1/4 volume and placed at 0 to 5°C for crystallization. Separate the crystals, wash with a small amount of 95% ethanol, and dry to obtain refined bile acid.

Purpose

1. This product can be used as an emulsifier.