glycyrrhizic acid

物化性质

外观与性状：

晶体

密度：

1.43g/cm3

熔点：

220ºC decomposes

沸点：

971.4ºC at 760mmHg

闪点：

288.1ºC

蒸汽压：

0mmHg at 25°C

存储条件/存储方法：

食品级塑料袋外套牛皮纸袋包装。贮存于阴凉干燥处。

稳定性相关：

1. 如果遵照规格使用和储存则不会分解，未有已知危险反应，避免氧化物。

2. 存在于烟叶中。

3. 甘草根及根茎含三萜类化合物甘草甜素（Glycyrrhizin），主要为甘草酸的钾、钙盐，为甘草的甜味成分。甘草酸水解后产生两分子葡萄糖醛酸和一分子18β-甘草次酸（18β-Glycyrrhetic acid）。

其它信息：

1. 性状：白色结晶性粉末，甜度约为蔗糖的200倍。显甜迟后，但留甜时间长。

2. 熔点（ºC）：212-217

3. 沸点（ºC,常压）：972

4. 闪点（ºC）： 288

5. 溶解性：难溶于冷水，易溶于热水，不溶于油脂，其热水溶液冷却后呈黏稠冻胶状。溶于丙二醇。

6. 相对密度(d²⁰₄₎ ：1.43

安全信息

外观与性状：

晶体

密度：

1.43g/cm3

熔点：

220ºC decomposes

沸点：

971.4ºC at 760mmHg

闪点：

288.1ºC

蒸汽压：

0mmHg at 25°C

存储条件/存储方法：

食品级塑料袋外套牛皮纸袋包装。贮存于阴凉干燥处。

稳定性相关：

1. 如果遵照规格使用和储存则不会分解，未有已知危险反应，避免氧化物。

2. 存在于烟叶中。

3. 甘草根及根茎含三萜类化合物甘草甜素（Glycyrrhizin），主要为甘草酸的钾、钙盐，为甘草的甜味成分。甘草酸水解后产生两分子葡萄糖醛酸和一分子18β-甘草次酸（18β-Glycyrrhetic acid）。

其它信息：

1. 性状：白色结晶性粉末，甜度约为蔗糖的200倍。显甜迟后，但留甜时间长。

2. 熔点（ºC）：212-217

3. 沸点（ºC,常压）：972

4. 闪点（ºC）： 288

5. 溶解性：难溶于冷水，易溶于热水，不溶于油脂，其热水溶液冷却后呈黏稠冻胶状。溶于丙二醇。

6. 相对密度(d²⁰₄₎ ：1.43

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :

MD2025000

CHEMICAL NAME :

Glycyrrhizinic acid

CAS REGISTRY NUMBER :

1405-86-3

BEILSTEIN REFERENCE NO. :

0077922

LAST UPDATED :

199706

DATA ITEMS CITED :

10

MOLECULAR FORMULA :

C42-H62-O16

MOLECULAR WEIGHT :

823.04

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human

DOSE/DURATION :

280 mg/kg/4W

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Nutritional and Gross Metabolic - changes in phosphorus

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human - man

DOSE/DURATION :

662 mg/kg/1Y-I

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold Behavioral - muscle weakness Nutritional and Gross Metabolic - changes in potassium

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

3 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

2 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD - Lethal dose

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

>300 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

4320 mg/kg

TOXIC EFFECTS :

Lungs, Thorax, or Respiration - respiratory stimulation Lungs, Thorax, or Respiration - other changes

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

589 mg/kg

TOXIC EFFECTS :

Lungs, Thorax, or Respiration - respiratory stimulation Lungs, Thorax, or Respiration - other changes

MUTATION DATA

TYPE OF TEST :

Micronucleus test

TEST SYSTEM :

Rodent - hamster Ovary

DOSE/DURATION :

100 umol/L

REFERENCE :

MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 367,99,1996

毒理学数据：

急性毒性：人体口经TDLo：280mg/kg/4W；小鼠口经LCLo：3gm/kg；小鼠腹经LCLo：2gm/kg；小鼠静脉LC：>300mg/kg

生态数据：

对是水稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境。

MSDS

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 ContactNot 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 ProtectionSafety 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 andO 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 onSlightly 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 otherAcute Potential Health Effects:
Toxic Effects on HumansSkin: 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 RegulationsEINECS: 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
Reactivity0
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

分子结构与计算化学数据

分子结构数据

1、摩尔折射率：201.36

2、摩尔体积（cm³/mol）：572.6

3、等张比容（90.2K）：1677.5

4、表面张力（dyne/cm）：73.6

5、介电常数：无可用的

6、极化率（10^-24cm³）：79.82

7、单一同位素质量：822.403786 Da

8、标称质量：822 Da

9、平均质量：822.9321 Da

计算化学数据

1、 疏水参数计算参考值（XlogP）：3.7

2、 氢键供体数量：8

3、 氢键受体数量：16

4、 可旋转化学键数量：7

5、 互变异构体数量：5

6、 拓扑分子极性表面积（TPSA）：267

7、 重原子数量：58

8、 表面电荷：0

9、 复杂度：1730

10、 同位素原子数量：0

11、 确定原子立构中心数量：19

12、 不确定原子立构中心数量：0

13、 确定化学键立构中心数量：0

14、 不确定化学键立构中心数量：0

15、 共价键单元数量：1