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    Cholic acid
    CAS No.: 81-25-4 Formula: C24H40O5 Molecular Weight: 408.57100
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    Cholic acid

    CAS No.: 81-25-4 Formula: C24H40O5 Molecular Weight: 408.57100
    Suppliers: All (203) China Suppliers (142) Price Available (34) Contractor (12)

    Description

    Cholic acid, also known as 3α,7α,12α-trihydroxy-5β-cholan-24-oic acid is a primary bile acid that is insoluble in water (soluble in alcohol and acetic acid), it is a white crystalline substance. Salts of cholic acid are called cholates. Cholic acid, along with chenodeoxycholic acid, is one of the two major bile acids produced by the liver, where it is synthesized from cholesterol. These two major bile acids are roughly equal in concentration in humans. Derivatives are made from cholyl-CoA, which exchanges its CoA with either glycine, or taurine, yielding glycocholic and taurocholic acid, respectively.
    Cholic acid downregulates cholesterol-7-α-hydroxylase (rate-limiting step in bile acid synthesis), and cholesterol does the opposite. This is why chenodeoxycholic acid, and not cholic acid, can be used to treat gallstones (because decreasing bile acid synthesis would supersaturate the stones even more).
    Cholic acid and chenodeoxycholic acid are the most important human bile acids. Other species may synthesize different bile acids as their predominant primary bile acids.
    Cholic acid, formulated as Cholbam capsules, is approved by the United States Food and Drug Administration as a treatment for children and adults with bile acid synthesis disorders due to single enzyme defects, and for peroxisomal disorders (such as Zellweger syndrome).

    Numbering system

    UNII G1JO7801AE

    Properties

    Appearance & Physical State white to off-white crystalline powder
    Density 1.184g/cm3
    Boiling Point 545oC
    Melting Point 197-202oC
    Flash Point 321oC
    Refractive Index 1.558
    Water Solubility 0.28 g/L (15 oC)
    Stability Stable under normal temperatures and pressures.
    Storage Condition Store at RT.

    Safety Info

    RTECS FZ9350000
    Safety Statements S24/25
    HS Code 2942000000
    WGK Germany 2
    Risk Statements R36/37/38
    Hazard Codes Xi
    Caution Statement P305 + P351 + P338
    Hazard Declaration H315; H319
    Symbol GHS07
    Signal Word Warning
    SDS 1.0 Expand

    SDS 1.0

    Collapse
    Download/Modify | Technical supported by XiXisys.com. For US version, EU version (23 languages) and more, please refer to xixisys.com/en/sds/search

    SAFETY DATA SHEETS

    According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

    Version: 1.0

    Creation Date: Aug 17, 2017

    Revision Date: Aug 17, 2017

    1.Identification

    1.1 GHS Product identifier

    Product name cholic acid

    1.2 Other means of identification

    Product number -
    Other names Cholic&Cyclosphorine

    1.3 Recommended use of the chemical and restrictions on use

    Identified uses For industry use only. Food Additives: EMULSIFIER
    Uses advised against no data available

    1.4 Supplier's details

    Company MOLBASE (Shanghai) Biotechnology Co., Ltd.
    Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
    Xuhui District, Shanghai, China
    Telephone +86(21)64956998
    Fax +86(21)54365166

    1.5 Emergency phone number

    Emergency phone number +86-400-6021-666
    Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

    2.Hazard identification

    2.1 Classification of the substance or mixture

    Skin irritation, Category 2

    Eye irritation, Category 2

    2.2 GHS label elements, including precautionary statements

    Pictogram(s)
    Signal word

    Warning

    Hazard statement(s)

    H315 Causes skin irritation

    H319 Causes serious eye irritation

    Precautionary statement(s)
    Prevention

    P264 Wash ... thoroughly after handling.

    P280 Wear protective gloves/protective clothing/eye protection/face protection.

    Response

    P302+P352 IF ON SKIN: Wash with plenty of water/...

    P321 Specific treatment (see ... on this label).

    P332+P313 If skin irritation occurs: Get medical advice/attention.

    P362+P364 Take off contaminated clothing and wash it before reuse.

    P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

    P337+P313 If eye irritation persists: Get medical advice/attention.

    Storage

    none

    Disposal

    none

    2.3 Other hazards which do not result in classification

    none

    3.Composition/information on ingredients

    3.1 Substances

    Chemical name Common names and synonyms CAS number EC number Concentration
    cholic acid cholic acid 81-25-4 none 100%

    4.First-aid measures

    4.1 Description of necessary first-aid measures

    General advice

    Consult a physician. Show this safety data sheet to the doctor in attendance.

    If inhaled

    If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

    In case of skin contact

    Wash off with soap and plenty of water. Consult a physician.

    In case of eye contact

    Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

    If swallowed

    Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

    4.2 Most important symptoms/effects, acute and delayed

    no data available

    4.3 Indication of immediate medical attention and special treatment needed, if necessary

    /SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Poisons A and B/

    5.Fire-fighting measures

    5.1 Extinguishing media

    Suitable extinguishing media

    Advice for firefighters: Wear self-contained breathing apparatus for firefighting if necessary.

    5.2 Specific hazards arising from the chemical

    no data available

    5.3 Special protective actions for fire-fighters

    Wear self-contained breathing apparatus for firefighting if necessary.

    6.Accidental release measures

    6.1 Personal precautions, protective equipment and emergency procedures

    Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

    6.2 Environmental precautions

    Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

    6.3 Methods and materials for containment and cleaning up

    Accidental Release Measures. Personal precautions, protective equipment and emergency procedures: Avoid dust formation. Avoid breathing vapors, mist or gas. Environmental precautions: No special environmental precautions required. Methods and materials for containment and cleaning up: Sweep up and shovel. Keep in suitable, closed containers for disposal.

    7.Handling and storage

    7.1 Precautions for safe handling

    Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

    7.2 Conditions for safe storage, including any incompatibilities

    Keep container tightly closed in a dry and well-ventilated place. Keep in a dry place. Storage class (TRGS 510): Non Combustible Solids.

    8.Exposure controls/personal protection

    8.1 Control parameters

    Occupational Exposure limit values

    no data available

    Biological limit values

    no data available

    8.2 Appropriate engineering controls

    Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

    8.3 Individual protection measures, such as personal protective equipment (PPE)

    Eye/face protection

    Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

    Skin protection

    Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

    Respiratory protection

    Wear dust mask when handling large quantities.

    Thermal hazards

    no data available

    9.Physical and chemical properties

    Physical state white to off-white crystalline powder
    Colour Plates from dilute acetic acid
    Odour no data available
    Melting point/ freezing point 197-202oC
    Boiling point or initial boiling point and boiling range 545oC
    Flammability no data available
    Lower and upper explosion limit / flammability limit no data available
    Flash point 321oC
    Auto-ignition temperature no data available
    Decomposition temperature no data available
    pH no data available
    Kinematic viscosity no data available
    Solubility In water:0.28 g/L (15 oC)
    Partition coefficient n-octanol/water (log value) no data available
    Vapour pressure 9.66X10-15 mm Hg at 25°C (est)
    Density and/or relative density 1.184g/cm3
    Relative vapour density no data available
    Particle characteristics no data available

    10.Stability and reactivity

    10.1 Reactivity

    no data available

    10.2 Chemical stability

    Stable under recommended storage conditions.

    10.3 Possibility of hazardous reactions

    no data available

    10.4 Conditions to avoid

    no data available

    10.5 Incompatible materials

    no data available

    10.6 Hazardous decomposition products

    When heated to decomposition it emits acrid smoke and irritating fumes.

    11.Toxicological information

    Acute toxicity

    • Oral: LD50 Mouse oral 4950 mg/kg
    • Inhalation: no data available
    • Dermal: no data available

    Skin corrosion/irritation

    no data available

    Serious eye damage/irritation

    no data available

    Respiratory or skin sensitization

    no data available

    Germ cell mutagenicity

    no data available

    Carcinogenicity

    no data available

    Reproductive toxicity

    no data available

    STOT-single exposure

    no data available

    STOT-repeated exposure

    no data available

    Aspiration hazard

    no data available

    12.Ecological information

    12.1 Toxicity

    • Toxicity to fish: no data available
    • Toxicity to daphnia and other aquatic invertebrates: no data available
    • Toxicity to algae: no data available
    • Toxicity to microorganisms: no data available

    12.2 Persistence and degradability

    no data available

    12.3 Bioaccumulative potential

    An estimated BCF of 3 was calculated in fish for cholic acid(SRC), using a log Kow of 2.02(1) and a regression-derived equation(2). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

    12.4 Mobility in soil

    Using a structure estimation method based on molecular connectivity indices(1), the Koc of cholic acid can be estimated to be 2600(SRC). According to a classification scheme(2), this estimated Koc value suggests that cholic acid is expected to have slight mobility in soil. However, soil mobility may be slightly higher given a measured log Kow of 2.02(3). The pKa of cholic acid is 4.98(4), indicating that this compound will exist largely in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5).

    12.5 Other adverse effects

    no data available

    13.Disposal considerations

    13.1 Disposal methods

    Product

    The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

    Contaminated packaging

    Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

    14.Transport information

    14.1 UN Number

    ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

    14.2 UN Proper Shipping Name

    ADR/RID: unknown
    IMDG: unknown
    IATA: unknown

    14.3 Transport hazard class(es)

    ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

    14.4 Packing group, if applicable

    ADR/RID: Not dangerous goods. IMDG: Not dangerous goods. IATA: Not dangerous goods.

    14.5 Environmental hazards

    ADR/RID: no IMDG: no IATA: no

    14.6 Special precautions for user

    no data available

    14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

    no data available

    15.Regulatory information

    15.1 Safety, health and environmental regulations specific for the product in question

    Chemical name Common names and synonyms CAS number EC number
    cholic acid cholic acid 81-25-4 none
    European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
    EC Inventory Listed.
    United States Toxic Substances Control Act (TSCA) Inventory Listed.
    China Catalog of Hazardous chemicals 2015 Not Listed.
    New Zealand Inventory of Chemicals (NZIoC) Listed.
    Philippines Inventory of Chemicals and Chemical Substances (PICCS) Not Listed.
    Vietnam National Chemical Inventory Listed.
    Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

    16.Other information

    Information on revision

    Creation Date Aug 17, 2017
    Revision Date Aug 17, 2017

    Abbreviations and acronyms

    • CAS: Chemical Abstracts Service
    • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
    • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
    • IMDG: International Maritime Dangerous Goods
    • IATA: International Air Transportation Association
    • TWA: Time Weighted Average
    • STEL: Short term exposure limit
    • LC50: Lethal Concentration 50%
    • LD50: Lethal Dose 50%
    • EC50: Effective Concentration 50%

    References

    • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
    • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
    • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
    • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
    • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
    • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
    • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
    • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
    • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

    Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.
    MSDS Expand
    13C NMR : in DMSO-d6Expand

    NMR Spectrum 13C NMR : in DMSO-d6

    Collapse

    C24 H40 O5 0.032 g : 0.5 ml DMSO-d6
    3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oic acid

    ppm Int. Assign.
    174.79 711 1
    70.98 701 2
    70.40 627 3
    66.22 596 4
    46.08 645 5
    45.73 744 6
    41.52 627 7 *
    41.32 626 8 *
    40.65 522 9
    40.24 1000 10
    35.30 498 11 #
    34.95 646 12
    34.83 548 13 #
    34.34 821 14
    30.80 840 15
    16
    30.37 540 17
    28.47 489 18
    27.18 495 19
    26.19 679 20
    22.75 544 21
    22.54 765 22
    16.91 824 23
    12.26 782 24

    CHECKED BY GASPE METHOD.

    IR : KBr discExpand
    Mass Expand
    Raman : 4880 A,200 M,powderExpand
    Exposure Route Type of Test Species Observed Dose/Duration Toxic Effects
    Oral LD50 - Lethal dose, 50 percent kill Rodent - mouse 4950 mg/kg 1.Behavioral-somnolence (general depressed activity)
    2.Gastrointestinal-ulceration or bleeding from stomach
    3.Gastrointestinal-hypermotility, diarrhea
    Intravenous LD50 - Lethal dose, 50 percent kill Rodent - mouse 330 mg/kg 1.Details of toxic effects not reported other than lethal dose value
    - Mutation in microorganisms - 50 mg/L -
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