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Cholan-24-oic acid,3-hydroxy-, (3a,5b)- (434-13-9)

Identification
Name:Cholan-24-oic acid,3-hydroxy-, (3a,5b)-
Synonyms:5b-Cholan-24-oic acid, 3a-hydroxy- (8CI); 5b-Cholanic acid, 3a-hydroxy- (7CI); 17b-(1-Methyl-3-carboxypropyl)etiocholan-3a-ol; 3-Hydroxycholan-24-oic acid;3a-Hydroxy-5b-cholan-24-oate; 3a-Hydroxy-5b-cholan-24-oic acid; 3a-Hydroxy-5b-cholanic acid; 3a-Hydroxy-5b-cholanoic acid; 3a-Hydroxycholanic acid;Lithocholic acid; NSC 683770
CAS:434-13-9
EINECS: 207-099-1
Molecular Formula: C24H40 O3
Molecular Weight: 376.64
InChI: InChI=1/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/p-1/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
Molecular Structure: (C24H40O3) 5b-Cholan-24-oic acid, 3a-hydroxy- (8CI); 5b-Cholanic acid, 3a-hydroxy- (7CI); 17b-(1-Methyl-3-carbo...
Properties
Melting Point: 183-188 °C(lit.)
Flash Point: 276.9°C
Boiling Point: 511°Cat760mmHg
Density:1.073g/cm3
Refractive index:35.5 ° (C=1, EtOH)
Solubility:FREELY SOL IN HOT ALC; MORE SOL IN BENZENE THAN DESOXYCHOLIC ACID; INSOL IN PETROLEUM ETHER, GASOLINE, WATER; SLIGHTLY SOL IN GLACIAL ACETIC ACID (ABOUT 0.2 G IN 3 ML); MORE SOL IN ETHER THAN CHOLIC OR DESOXYCHOLIC ACID; SOL IN ABOUT 10 TIMES ITS WT OF ETHYL ACETATE
In water, 0.38 mg/l at 25 deg C.
Specification:

1.Treatment of  Lithocholic acid with CAS NO.of  434-13-9 in Wastewater :
Total removal:92.81  percent
Total biodegradation:0.77  percent
Total sludge adsorption:92.04  percent
Total to Air:0.00  percent
(using 10000 hr Bio P,A,S)
2.Handling and Storage
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Avoid ingestion and inhalation. 
Storage: Store in a cool, dry place. Store in a tightly closed container.
3.Fire Fighting Measures
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH(approved or equivalent), and full protective gear. 
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.  

Report:

NCI Carcinogenesis Bioassay (gavage); No Evidence: mouse, rat NCITR*    National Cancer Institute Carcinogenesis Technical Report Series. (Bethesda, MD 20014) No. NCI-CG-TR-175 ,1979. . EPA Genetic Toxicology Program.

Flash Point: 276.9°C
Storage Temperature: Refrigerator
Color: HEXAGONAL LEAFLETS FROM ALC, PRISMS FROM ACETIC ACID
Usage:A cholic acid derivative as TGR5 modulator. Found in ox bile, human bile, rabbit bile, and in ox and pig gallstones.
Safety Data
 

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