1405-86-3 structure, C42H62O16

glycyrrhizinic acid

CAS No.

1405-86-3

Formula:

C42H62O16

Basic Info

Glycyrrhizin (or glycyrrhizic acid or glycyrrhizinic acid) is the chief sweet-tasting constituent of Glycyrrhiza glabra (liquorice) root. Structurally it is a saponin and has been used as an emulsifier and gel-forming agent in foodstuff and cosmetics. Its aglycone is enoxolone and it has therefore been used as a prodrug for that compound, for example it is used in Japan to prevent liver carcinogenesis in patients with chronic hepatitis C.

Formula
C42H62O16
Molecular Weight
822.932
Exact Mass
822.404
LogP
2.2456
PSA
267.04
Synonyms

Glycyrrhizic Acid

glycyrrhetinic acid glycoside

Glycyrrhizin

liquorice

glycyron

Glycyrrhizine

α-D-Glucopyranosiduronic acid, (3β,20β)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-α-D-glucopyranuronosyl-

Potenlini

Glycyrrhitin

DerMacrin

Glycyrrhizic

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Properties

Appearance & Physical State
Crystals from glacial acetic acid. Obtained from licorice.
Density
1.43g/cm3
Boiling Point
971.4ºC at 760mmHg
Melting Point
220ºC decomposes
Flash Point
288.1ºC
Vapor Pressure
0mmHg at 25°C

Safety Info

Safety Statements
S22-S24/25
HS Code
1211903600

MSDS

SDS 1.0
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SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name glycyrrhizinic acid

1.2 Other means of identification

Product number -
Other names Glycyrrhizin

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
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

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

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
glycyrrhizinic acid glycyrrhizinic acid 1405-86-3 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

Absorption, Distribution and Excretion

GLYCYRRHIZIN WAS ABSORBED IN RAT SMALL INTESTINE; THERE WAS NO DETECTABLE AMT OF GLYCYRRHETINIC ACID IN BLOOD AFTER BOLUS INJECTION OF GLYCYRRHIZIN INTO PORTAL VEIN; GLYCYRRHETINIC ACID WAS PRESENT IN DETECTABLE AMT IN BLOOD AFTER ORAL ADMIN.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

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

Pick up and arrange disposal. 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

Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

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 Crystals from glacial acetic acid. Obtained from licorice.
Colour Crystals from glacial acetic acid
Odour no data available
Melting point/ freezing point 300°C(dec.)(lit.)
Boiling point or initial boiling point and boiling range 82°C/5mmHg(lit.)
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 90°C(lit.)
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility Freely sol in hot water, alcohol; practically insol in ether
Partition coefficient n-octanol/water (log value) log Kow = 2.80
Vapour pressure 0mmHg at 25°C
Density and/or relative density 1.43g/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

no data available

11.Toxicological information

Acute toxicity

  • Oral: no data available
  • 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

no data available

12.4 Mobility in soil

no data available

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: UN3439 IMDG: UN3439 IATA: UN3439

14.2 UN Proper Shipping Name

ADR/RID: NITRILES, SOLID, TOXIC, N.O.S.
IMDG: NITRILES, SOLID, TOXIC, N.O.S.
IATA: NITRILES, SOLID, TOXIC, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

14.4 Packing group, if applicable

ADR/RID: III IMDG: III IATA: III

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
glycyrrhizinic acid glycyrrhizinic acid 1405-86-3 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) 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 10, 2017
Revision Date Aug 10, 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
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Section 1. Chemical Product and Company Identification
    Glycyrrhizic Acid
    Common Name/
    Trade Name
    Glycyrrhizic Acid

Section 4. First Aid Measures
    Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least
    Eye Contact
    15 minutes. Cold water may be used. Get medical attention if irritation occurs.
    Wash with soap and water. Cover the irritated skin with an emollient. Get medical attention if irritation develops.
    Skin Contact
    Cold water may be used.
    Serious Skin Contact        Not available.    
    If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get
    Inhalation
    medical attention.
    Not available.
    Serious Inhalation
    Do NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an
    Ingestion
    unconscious person. Loosen tight clothing such as a collar, tie, belt or waistband. Get medical attention if symptoms
    appear.
    Not available.
    Serious Ingestion

Section 5. Fire and Explosion Data
    Flammability of the Product May be combustible at high temperature.
    Auto-Ignition Temperature Not available.
    Not available.
    Flash Points
    Not available.
    Flammable Limits
    These products are carbon oxides (CO, CO2).
    Products of Combustion
    Fire Hazards in Presence of Slightly flammable to flammable in presence of heat.
    Various Substances
    Risks of explosion of the product in presence of mechanical impact: Not available.
    Explosion Hazards in
    Risks of explosion of the product in presence of static discharge: Not available.
    Presence of Various
    Substances
    SMALL FIRE: Use DRY chemical powder.
    Fire Fighting Media
    LARGE FIRE: Use water spray, fog or foam. Do not use water jet.
    and Instructions
    Not available.
    Special Remarks on
    Fire Hazards
    Not available.
    Special Remarks on
    Explosion Hazards

Section 6. Accidental Release Measures
    Use appropriate tools to put the spilled solid in a convenient waste disposal container. Finish cleaning by spreading
    Small Spill
    water on the contaminated surface and dispose of according to local and regional authority requirements.
    Use a shovel to put the material into a convenient waste disposal container. Finish cleaning by spreading water on
    Large Spill
    the contaminated surface and allow to evacuate through the sanitary system.
    Glycyrrhizic Acid

Section 7. Handling and Storage
    Keep away from heat. Keep away from sources of ignition. Empty containers pose a fire risk, evaporate the residue
    Precautions
    under a fume hood. Ground all equipment containing material. Do not ingest. Do not breathe dust. If ingested,
    seek medical advice immediately and show the container or the label. Keep away from incompatibles such as
    oxidizing agents.
    Keep container tightly closed. Keep container in a cool, well-ventilated area.
    Storage

Section 8. Exposure Controls/Personal Protection
    Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below
    Engineering Controls
    recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
    airborne contaminants below the exposure limit.
    Personal Protection        Safety glasses. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent. Gloves.    
    Personal Protection in Case Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be used to
    avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE
    of a Large Spill
    handling this product.
    Not available.
    Exposure Limits

Section 9. Physical and Chemical Properties
    Solid. (Crystals solid. Crystalline solid.)        Not available.    
    Physical state and        O dor    
    appearance
    Intensely sweet.
    Taste
    822.94g/mole
    Molecular Weight
    Not available.
    Color
    Not available.
    pH (1% soln/water)
    Not available.
    Boiling Point
    200°C (392°F)
    Melting Point
    Decomposition Temperature: 220 deg. C.
    Not available.
    Critical Temperature
    Not available.
    Specific Gravity
    Not applicable.
    Vapor Pressure
    Not available.
    Vapor Density
    Not available.
    Volatility
    Not available.
    Odor Threshold
    The product is more soluble in oil; log(oil/water) = 2.8
    Water/Oil Dist. Coeff.
    Not available.
    Ionicity (in Water)
    See solubility in water.
    Dispersion Properties
    Easily soluble in hot water.
    Solubility
    Partially soluble in cold water.
    Freely soluble in alcohol.
    Very slightly soluble in diethyl ether.
    Glycyrrhizic Acid

Section 10. Stability and Reactivity Data
    The product is stable.
    Stability
    Not available.
    Instability Temperature
    Conditions of Instability Excess heat, incompatible materials
    Incompatibility with various Reactive with oxidizing agents.
    substances
    Not available.
    Corrosivity
    Not available.
    Special Remarks on
    Reactivity
    Not available.
    Special Remarks on
    Corrosivity
    Will not occur.
    Polymerization

Section 11. Toxicological Information
    Inhalation. Ingestion.
    Routes of Entry
    Acute oral toxicity (LD50): 4320 mg/kg [Mouse].
    Toxicity to Animals
    Chronic Effects on Humans Not available.
    Other Toxic Effects on        Slightly hazardous in case of skin contact (irritant), of ingestion, of inhalation.    
    Humans
    Not available.
    Special Remarks on
    Toxicity to Animals
    May affect genetic material (mutagenic)
    Special Remarks on
    Chronic Effects on Humans
    Special Remarks on other        Acute Potential Health Effects:    
    Toxic Effects on Humans        Skin: May cause skin irritation.    
    Eyes: May cause eye irritation.
    Inhalation: Ma y cause respiratory tract irritation.
    Ingestion: May affect behavior/central nervous system (convulsions, muscle weakness), respiration (respiratory
    stimulation).
    Chronic Potential Health Effects: Prolonged or repeated ingestion may affect behavior (symptoms similar to that of
    acute ingestion), urinary system/kidneys (Proteinuria, myoglobinuria, acute renal failure), metabolism (metabolic
    alkalosis), blood (change in serum compostion), immune system (decrease in immune response), endocrine system.

Section 12. Ecological Information
    Not available.
    Ecotoxicity
    Not available.
    BOD5 and COD
    Products of Biodegradation Possibly hazardous short term degradation products are not likely. However, long term degradation products may
    arise.
    The product itself and its products of degradation are not toxic.
    Toxicity of the Products
    of Biodegradation
    Not available.
    Special Remarks on the
    Products of Biodegradation
    Glycyrrhizic Acid

Section 13. Disposal Considerations
    Waste must be disposed of in accordance with federal, state and local environmental control
    Waste Disposal
    regulations.

Section 14. Transport Information
    Not a DOT controlled material (United States).
    DO T Cl assi fi cati on
    Not applicable.
    Identification
    Not applicable.
    Special Provisions for
    Transport
    DO T (Pi ctograms)

Section 15. Other Regulatory Information and Pictograms
    TSCA 8(b) inventory: Glycyrrhizic Acid
    Federal and State
    Regulations
    California prop. 65: This product contains the following ingredients for which the State of California has found to
    California
    cause cancer which would require a warning under the statute: No products were found.
    Proposition 65
    Warnings
    California prop. 65: This product contains the following ingredients for which the State of California has found to
    cause birth defects which would require a warning under the statute: No products were found.
    Other Regulations        EINECS: This product is on the European Inventory of Existing Commercial Chemical Substances (EINECS No.    
    215-785-7).
    Canada: Listed on Canadian Domestic Substance List (DSL).
    China: Listed on National Inventory.
    Japan: Listed on National Inventory (ENCS).
    Korea: Listed on National Inventory (KECI).
    Philippines: Listed on National Inventory (PICCS).
    Australia: Listed on AICS.
    WHMIS (Canada) Not controlled under WHMIS (Canada).
    Other Classifications
    This product is not classified according Not applicable.
    DSCL (EEC)
    to the EU regulations.
    Health Hazard
    HMIS (U.S.A.)        1 National Fire Protection    
    1 Flammability
    1 Association (U.S.A.)
    Fire Hazard
    1 0 Reactivity
    Health
    Reactivity        0    
    Specific hazard
    Personal Protection
    E
    WHMIS (Canada)
    (Pictograms)
    DSCL (Europe)
    (Pictograms)
    Glycyrrhizic Acid
    TDG(Canada)
    (Pictograms)
    ADR (Europe)
    (Pictograms)
    Protective Equipment
    Gloves.
    Lab coat.
    Dust respirator. Be sure to use an
    approved/certified respirator or equivalent.


SECTION 16 - ADDITIONAL INFORMATION
N/A

Spectrum

NMR Spectrum 1H NMR : Predict
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Synthesis Route

1.Synthesis Route
2.Synthesis Route
3.Synthesis Route

Related Compound Information