Lithocholic acid
Suppliers
Names
[ CAS No. ]:
434-13-9
[ Name ]:
Lithocholic acid
[Synonym ]:
17b-(1-Methyl-3-carboxypropyl)etiocholan-3a-ol
(3α,5β)-3-Hydroxycholan-24-oic acid
5-β-Cholan-24-oic acid, 3-α-hydroxy-
3-α-Hydroxy-5-β-cholanic acid
EINECS 207-099-1
Cholan-24-oic acid, 3-hydroxy-, (3α,5β)-
4-10-00-00785 (Beilstein Handbook Reference)
5β-Cholanic Acid-3α-ol
Lithocholic acid
Lithocolic acid
3α-Hydroxy-5β-cholanic Acid
MFCD00003682
5β-Cholan-24-oic acid, 3α-hydroxy-
(3a,5b)-3-hydroxycholan-24-oic acid
3a-Hydroxycholanic Acid
cholan-24-oic acid, 3-hydroxy-, (3a,5b)-
(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
(3a,5b)-3-hydroxy-cholan-24-oic acid
(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
3a-Hydroxy-5b-cholan-24-oic Acid
Cholan-24-oic acid, 3-hydroxy-, (3-α,5-β)- (9CI)
3α-hydroxy-5β-cholan-24-oic acid
Chemical & Physical Properties
[ Density]:
1.1±0.1 g/cm3
[ Boiling Point ]:
511.0±23.0 °C at 760 mmHg
[ Melting Point ]:
183-188 °C(lit.)
[ Molecular Formula ]:
C24H40O3
[ Molecular Weight ]:
376.573
[ Flash Point ]:
276.9±19.1 °C
[ Exact Mass ]:
376.297760
[ PSA ]:
57.53000
[ LogP ]:
6.70
[ Vapour Pressure ]:
0.0±3.0 mmHg at 25°C
[ Index of Refraction ]:
1.528
[ Storage condition ]:
Refrigerator
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- FZ2275000
- CHEMICAL NAME :
- 5-beta-Cholan-24-oic acid, 3-alpha-hydroxy-
- CAS REGISTRY NUMBER :
- 434-13-9
- BEILSTEIN REFERENCE NO. :
- 3217757
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 23
- MOLECULAR FORMULA :
- C24-H40-O3
- MOLECULAR WEIGHT :
- 376.64
- WISWESSER LINE NOTATION :
- L E5 B666TJ A E FY&2VQ OQ -B&AEFMO
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 :
- 3900 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 8800 mg/kg
- SEX/DURATION :
- female 0-21 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain) Reproductive - Effects on Newborn - physical
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 16 gm/kg
- SEX/DURATION :
- female 0-19 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - extra-embryonic structures (e.g., placenta, umbilical cord) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - hepatobiliary system
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 30160 ug/kg
- SEX/DURATION :
- female 12-19 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 37700 ug/kg
- SEX/DURATION :
- female 12-15 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intrauterine
- DOSE :
- 18850 ug/kg
- SEX/DURATION :
- female 5 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - Central Nervous System
- TYPE OF TEST :
- Mutation test systems - not otherwise specified
MUTATION DATA
- TYPE OF TEST :
- DNA adduct
- TEST SYSTEM :
- Mammal - species unspecified Lymphocyte
- DOSE/DURATION :
- 10 mg/L
- REFERENCE :
- CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 15,1911,1994
Safety Information
[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
[ Hazard Codes ]:
F+
[ Safety Phrases ]:
S22-S24/25
[ RIDADR ]:
NONH for all modes of transport
[ WGK Germany ]:
2
[ RTECS ]:
FZ2275000
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Articles
J. Chromatogr. B. Analyt. Technol. Biomed. Life Sci. 966 , 200-7, (2014)
Ultra high resolution SFC-MS (on sub-2μm particles) coupled to mass spectrometry has been evaluated for the metabolic profiling of rat and dog bile. The selectivity of the SFC separation differed from...
J. Colloid. Interface Sci. 454 , 97-104, (2015)
Organic nanotubes form in aqueous solution near physiological pH by self-assembly of lithocholic acid (LCA) with inner diameters of 20-40nm. The encapsulation of enhanced green fluorescent protein (eG...
Chemistry 21 , 12194-201, (2015)
The gelation behavior of lithocholate (LC(-) ) with different metal ions in water was investigated. The microstructures of hydrogels were determined to be three-dimensional (3D) networks of fibrous ag...