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Liquorice | 1405-86-3

中文名称
——
中文别名
——
英文名称
Liquorice
英文别名
6-[6-carboxy-2-[(11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl)oxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Liquorice化学式
CAS
1405-86-3
化学式
C42H62O16
mdl
——
分子量
822.9
InChiKey
LPLVUJXQOOQHMX-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    220°C (rough estimate)
  • 沸点:
    681.01°C (rough estimate)
  • 比旋光度:
    D17 +46.2° (c = 1.5 in alc)
  • 密度:
    1.1442 (rough estimate)
  • 溶解度:
    DMSO(少量)、乙醇(少量)、甲醇(少量)、吡啶(少量)
  • LogP:
    4.64
  • 物理描述:
    Solid with intensely sweet taste; [Merck Index] Crystalline plates or prisms; [MSDSonline]
  • 颜色/状态:
    Crystals from glacial acetic acid
  • 味道:
    Intensely sweet taste
  • 旋光度:
    Specific optical rotation: +46.2 deg @ 17 °C/D (alcohol, 1.5%)
  • 稳定性/保质期:
    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,避免接触氧化物。 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,是甘草的甜味成分。甘草酸水解后会生成两分子葡萄糖醛酸和一分子18β-甘草次酸(18β-Glycyrrhetic acid)。

计算性质

  • 辛醇/水分配系数(LogP):
    3.7
  • 重原子数:
    58
  • 可旋转键数:
    7
  • 环数:
    7.0
  • sp3杂化的碳原子比例:
    0.86
  • 拓扑面积:
    267
  • 氢给体数:
    8
  • 氢受体数:
    16

安全信息

  • 安全说明:
    S22,S24/25
  • WGK Germany:
    3
  • 海关编码:
    1211903600
  • 危险品运输编号:
    NONH for all modes of transport
  • RTECS号:
    MD2025000
  • 储存条件:
    食品级塑料袋外套牛皮纸袋包装,应贮存于阴凉干燥处。

SDS

SDS:62872824fc0fe4efd207375d3f13c589
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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

制备方法与用途

以下是关于甘草酸的生产方法、用途及特点:

生产方法
  1. 由甘草提取:首先将甘草根茎干燥并粉碎成粉末(保留纤维部分),取200kg粉末及纤维,加水1200kg,在85-100℃下浸提2小时。过滤后滤渣再用1000kg水提取2小时,过滤后再重复浸提一次。合并三次滤液,在搪瓷蒸发器中浓缩至原体积的1/5。

  2. 加入乙醇:冷却后的滤液加入95%乙醇使乙醇浓度达65%,静置24小时后过滤,除去植物蛋白和多糖等杂质。

  3. pH调节与沉淀:将滤液调至pH值为3,甘草酸析出沉淀。过滤洗涤后,加入3倍体积的丙酮,加热回流3小时,倾倒丙酮提取液。残渣再反复回流提取两次,合并三次提取液,过滤回收丙酮。

  4. 干燥与粉碎:滤干的湿甘草酸在45℃下干燥1小时,然后缓缓升温至85-95℃,快烘干时升至100-105℃烘5分钟。最终经粉碎后即得成品。

用途
  1. 食品工业

    • 可作为调味料和甜味剂添加于饼干、肉禽罐头、调味料、糖果、蜜饯、凉果和饮料中。
    • 在酱油中用于改善咸味,提高固有味道并消除糖精的苦味。在腌制咸菜卤水中可消除糖精的苦味,在腌制过程中防止因少加糖而引起的发酵败坏、变色及硬化等问题。
    • 增加豆酱甜味,使味道均匀。
  2. 医疗与保健

    • 具有抗炎、抗变态反应作用;肾上腺皮质激素样效果如抑制毛细血管通透性,减轻过敏性休克症状等。
    • 降低高血压患者的血清胆固醇水平,并可作为抗癌防癌药物使用。具有类似糖皮质激素的药理作用但无严重不良反应。
  3. 其他用途

    • 可用作食品添加剂如豆酱、酱油中的甜味剂。
特点
  • 甘草酸是从天然植物甘草中提取的主要活性成分,具有较强的甜度(约为砂糖的250倍)。
  • 作为药物时可用于治疗各种急慢性肝炎、支气管炎及艾滋病等。
  • 在临床应用中,甘草酸因其类似肾上腺皮质激素的作用而被广泛应用。

反应信息

  • 作为反应物:
    描述:
    Liquorice 以59的产率得到异甘草酸镁
    参考文献:
    名称:
    Pharm. Chem. J. 1996, 30, 613-616
    摘要:
    DOI:
点击查看最新优质反应信息

文献信息

  • Pharm. Chem. J. 2010, 44, 299-302
    作者:
    DOI:——
    日期:——
  • ANTIPERSPIRANT
    申请人:MANDOM CORPORATION
    公开号:US20210361549A1
    公开(公告)日:2021-11-25
    Provided is an antiperspirant which serves to control secretion of sweat secreted from sweat glands and is capable of doing so by acting on sweat glands without closing sweat pores, the antiperspirant containing, as an active ingredient to control secretion of sweat secreted from sweat glands, at least one type of pentacyclic compound selected from the group consisting of compounds represented by formula (I): and derivatives thereof, and compounds represented by formula (VII): and derivatives thereof.
  • [EN] ANTIPERSPIRANT<br/>[FR] ANTI-TRANSPIRANT<br/>[JA] 制汗剤
    申请人:MANDOM CORP
    公开号:WO2019188486A1
    公开(公告)日:2019-10-03
    汗孔を閉塞させなくても、汗腺に作用して汗の分泌を制御することができる、汗腺による汗の分泌を制御するための制汗剤であって、式(I)で表される化合物、その誘導体、式(VII)で表される化合物及びその誘導体からなる群より選ばれた少なくとも1種の五環式化合物を汗腺による汗の分泌を制御するための有効成分として含有する制汗剤を提供する。
  • Pharm. Chem. J. 1996, 30, 613-616
    作者:
    DOI:——
    日期:——
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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ir
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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