cholic acid

Suppliers

Names

[ CAS No. ]:
81-25-4

[ Name ]:
cholic acid

[Synonym ]:
Cholalic acid
Cholan-24-oic acid, 3,7,12-trihydroxy-, (3α,5β,7α,12α)- (9CI)
cholic acid
17b-(1-Methyl-3-carboxypropyl)etiocholane-3a,7a,12a-triol
3a,7a,12a-Trihydroxycholanic acid
5β-Cholic acid
3a,7a,12a-Trihydroxy-5b-cholanoic acid
(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
5b-Cholic acid
3a,7a,12a-Trihydroxy-5b-cholanic Acid
3α,7α,12α-trihydroxy-5β-cholan-24-oic acid
CHOLALIN
MFCD00003672
Cholan-24-oic acid, 3,7,12-trihydroxy-, (3α,5β,7α,8ξ,12α,20R)-
EINECS 201-337-8
Cholbam
Cholic&Cyclosphorine
3a,7a,12a-Trihydroxy-b-cholanic acid
3a,7a,12a-Trihydroxy-β-cholanic acid
Cholic acd
5b-Cholanic acid-3a,7a,12a-triol
AHR 3053-13C3
(3α,5β,7α,12α)-3,7,12-Trihydroxycholan-24-oic acid
3a,7a,12a-Trihydroxy-5b-cholan-24-oic Acid
5β-Cholanic acid, 3α,7α,12α-trihydroxy- (7CI)
CHOLATE
Kolbam
UNII-G1JO7801AE
Orphacol
Cholic acid, 5β-
(3a,5b,7a,12a)-3,7,12-Trihydroxycholan-24-oic acid
Cholan-24-oic acid, 3,7,12-trihydroxy-, (3α,5β,7α,12α)-
Cholan-24-oic acid, 3,7,12-trihydroxy-, (3-α,5-β,7-α,12-α)-
(3α,5β,7α,8ξ,12α,20R)-3,7,12-Trihydroxycholan-24-oic acid

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
583.9±50.0 °C at 760 mmHg

[ Melting Point ]:
197-202 ºC

[ Molecular Formula ]:
C24H40O5

[ Molecular Weight ]:
408.571

[ Flash Point ]:
321.0±26.6 °C

[ Exact Mass ]:
408.287567

[ PSA ]:
97.99000

[ LogP ]:
2.62

[ Vapour Pressure ]:
0.0±3.7 mmHg at 25°C

[ Index of Refraction ]:
1.558

[ Storage condition ]:
2-8°C

[ Water Solubility ]:
0.28 g/L (15 ºC)

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
FZ9350000
CHEMICAL NAME :
Cholic acid
CAS REGISTRY NUMBER :
81-25-4
BEILSTEIN REFERENCE NO. :
2822009
LAST UPDATED :
199701
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C24-H40-O5
MOLECULAR WEIGHT :
408.64
WISWESSER LINE NOTATION :
L E5 B666TJ A1 DQ E1 FY1&2VQ KQ OQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4950 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Gastrointestinal - ulceration or bleeding from stomach Gastrointestinal - hypermotility, diarrhea
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
330 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TEST SYSTEM :
Rodent - rat
DOSE/DURATION :
7560 mg/kg/6W
REFERENCE :
CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 9,387,1988 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84435 No. of Facilities: 174 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 1744 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84435 No. of Facilities: 46 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 511 (estimated) No. of Female Employees: 325 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319

[ Precautionary Statements ]:
P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
FZ9350000

[ HS Code ]:
2942000000

Synthetic Route

Precursor & DownStream

Precursor

  • 7-Keto-3α,12-α-dihydroxycholanic Acid
  • Lithocholic acid
  • 10-undecenyl cholate
  • octacos-10-enyl cholate
  • Methyl Cholate
  • (3α,5β,7α,12α)-3,7,12-trihydroxycholan-24-oic acid 1,1-dimethylethyl ester
  • benzyl 3α,7α,12α-trihydroxyl-5β-cholestane-24-carboxylic ester
  • sodium glycocholate

DownStream

  • (3a,5b,7a,12a)- 3,7,12,24-tetrahydroxy-cholestan-26-oic acid
  • methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
  • sodium cholate
  • 7-Ketolithocholic acid
  • Chenodeoxycholic acid
  • methyl 7alpha,12alpha-dihydroxy-3-oxo-5beta-cholan-24-oate
  • Lithocholic acid
  • (3R,5S,7R,8R,9S,10S,12S,13R,14S)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
  • methyl 3alpha-[(ethoxycarbonyl)oxy]-7,12-dioxo-5beta-cholan-24-oate
  • sodium glycocholate

Customs

[ HS Code ]: 2942000000

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Related Compounds

  • cholic acid
  • Cholic acid
  • cholic acid
  • cholic acid
  • cholic acid
  • tert-butyl N-[5-hydroxy-5-(trifluoromethyl)bicyclo[2.2.1]heptan-2-yl]carbamate
  • 3-(2,5-Difluoro-4-nitrophenyl)azetidin-3-ol
  • 3-(5-Chloro-2-nitrophenyl)-3-hydroxypropanenitrile
  • 2-(1-Amino-2-methylpropyl)-4-bromo-6-chloro-3-fluorophenol
  • 1-(3-Amino-2-isopropylpyridin-4-yl)ethan-1-ol
  • tert-butyl N-[2-(1,4-dimethyl-1H-pyrazol-3-yl)-1-oxopropan-2-yl]-N-methylcarbamate
  • 1-amino-3-(1,4-dimethyl-1H-pyrazol-3-yl)propan-2-ol
  • Methyl 5-(2-aminocyclopropyl)-2-hydroxybenzoate
  • (2R)-6-(furan-2-yl)-5-methylhex-5-en-2-ol
  • 3-[1-(2-methylpropyl)-1H-pyrazol-4-yl]propane-1-thiol
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