18α-甘草次酸

18α-甘草次酸 基本信息
CAS号 1449-05-4 分子式 C30H46O4
分子量 470.68400 精确质量  470.34000
PSA  74.60000 LogP  6.41260

等价的CAS号:

471-53-4,1449-05-4,10379-72-3,10379-78-9,90365-60-9,118492-17-4,146236-30-8

基本信息 展开↓

CAS号:
1449-05-4
3D弹球模型:
立即前往扯扯看
分子式:
C30H46O4
分子量:
470.68400
中文名称:
18α-甘草次酸
英文名称:
glycyrrhetinate
中文别名:
18α-甘草次酸;
18-ALFA-甘草次酸;
甘草次酸(α型);
甘草次酸
英文别名:
glycyrrhetinate;
18a-Glycyrrhetinic acid;
18a-Glycyrrhetic acid;
Glycyrrhetinic acid
精确分子量/精确质量:
470.34000
极性分子表面积/PSA:
74.60000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00064897
EINECS:
215-907-9
PubChem:
24895341
InChI:
The Key: MPDGHEJMBKOTSU-AWOGJAJBSA-N

生产制备方法及用途展开↓

制备方法


具有抗菌消炎、抗氧化、抗衰老、吸收紫外线、美白亮肤、祛斑等功效;可调节皮肤免疫功能,增强皮肤抗病能力,消除炎症,预防过敏,清洁皮肤防止黑色素的产生,具有美白功效。

用途简介


用途


合成的甘草次酸琥珀酸半酯二钠盐对胃溃疡有治愈作用。

日本学者熊谷朗和Hatano等分别报道过甘草具有抗艾滋病的作用,其主要成分甘草次酸及其衍生物有望成为抗艾滋病的新药[8]。

能防治实验性肝硬化的发生[9]。

免疫调节作用:18β甘草次酸对家兔急性血清病具有免疫调节作用[10]。

清除氧自由基的作用:18β甘草次酸对水溶液体系产生的O-2和OH有明显的清除作用,并有直接捕获氧自由基的作用[11]。

物化性质展开↓

密度:
1.14g/cm3
熔点:
331-333°C
沸点:
588.3ºC at 760mmHg
闪点:
323.7ºC
蒸汽压:
2.71E-16mmHg at 25°C
存储条件/存储方法:

保持贮藏器密封、储存在阴凉、干燥的地方,确保工作间有良好的通风或排气装置

稳定性相关:

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

其它信息:

1.       性状:未确定。

2.       密度(g/mL,25/4℃): 未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):331-333

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,5.2kPa): 未确定

7.       折射率: 未确定

8.       闪点(ºC): 未确定

9.       比旋光度(º): 未确定

10.    自燃点或引燃温度(ºC): 未确定

11.    蒸气压(kPa,25ºC): 未确定

12.    饱和蒸气压(kPa,60ºC): 未确定

13.    燃烧热(KJ/mol):未确定

14.    临界温度(ºC): 未确定

15.    临界压力(KPa): 未确定

16.    油水(辛醇/水)分配系数的对数值: 未确定

17.    爆炸上限(%,V/V):未确定

18.    爆炸下限(%,V/V): 未确定

19.    溶解性:未确定

安全信息展开↓

海关代码:
2938909030
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R22
安全说明:
S22-S23-S36/37/39
RTECS号:
RK0190000
危险标志:
Xn: Harmful;

合成路线查看所有的合成路线

  • 650140-36-6

    650140-36-6

  • ~85%

  • 1449-05-4

    18α-甘草次酸

  • 471-53-4

    甘草次酸

  • ~46%

  • 1449-05-4

    18α-甘草次酸

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RK0190000
CHEMICAL NAME :
18-alpha-Olean-12-en-30-oic acid, 3-beta-hydroxy-11-oxo-
CAS REGISTRY NUMBER :
1449-05-4
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C30-H46-O4
MOLECULAR WEIGHT :
470.76
WISWESSER LINE NOTATION :
L F6 E6 B666 CV DUTJ A1 HVQ H1 K1 N1 O1 S1 S1 TQ -BETA

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 :
560 mg/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay) Gastrointestinal - other changes
REFERENCE :
CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 28,3449,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
455 mg/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay) Gastrointestinal - other changes
REFERENCE :
CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 28,3449,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02068
毒理学数据:

急性毒性:小鼠口经LD50:560mg/kg;小鼠腹经LD50:455mg/kg;小鼠静脉LD50:100mg/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 展开↓


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    : 18α-Glycyrrhetinic acid
    Product name
    CAS-No.        : 1449-05-4    
  Relevant identified uses of the substance or mixture and uses advised against
    Identified uses        : Laboratory chemicals, Manufacture of substances    
  
  

Section 2. HAZARDS IDENTIFICATION
  Classification of the substance or mixture
  Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
    Acute toxicity, Oral (Category 4)
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    Harmful if swallowed.
  Label elements
  Labelling according Regulation (EC) No 1272/2008 [CLP]
    Pictogram
    Signal word        Warning    
    Hazard statement(s)
    H302        Harmful if swallowed.    
    Precautionary statement(s) none
    Supplemental Hazard        none    
    Statements
  According to European Directive 67/548/EEC as amended.
    Hazard symbol(s)
    R-phrase(s)
    R22        Harmful if swallowed.    
    S-phrase(s)        none    
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substances
    : 3β-Hydroxy-11-oxo-18α,20β-olean-12-en-29-oic acid
    Synonyms
    Formula        : C30H46O4    
    Molecular Weight        : 470,68 g/mol    
    Component        Concentration    
  (3β,18α,20β)-3-Hydroxy-11-oxoolean-12-en-29-oic acid
    CAS-No.        1449-05-4        -    
    EC-No.        215-907-9    

Section 4. FIRST AID MEASURES
  Description of 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
    Flush eyes with water as a precaution.
  If swallowed
    Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
  Most important symptoms and effects, both acute and delayed
    Overexposure can cause sodium retention and potassium loss leading to hypertension, water retention,
    and electrolyte imbalance.
  Indication of any immediate medical attention and special treatment needed
    no data available

Section 5. FIREFIGHTING MEASURES
  Extinguishing media
  Suitable extinguishing media
    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
  Special hazards arising from the substance or mixture
    Carbon oxides
  Advice for firefighters
    Wear self contained breathing apparatus for fire fighting if necessary.
  Further information
    no data available

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions, protective equipment and emergency procedures
    Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure
    adequate ventilation. Avoid breathing dust.
  Environmental precautions
    Do not let product enter drains.
  Methods and materials for containment and cleaning up
    Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
    containers for disposal.
  Reference to other sections
    For disposal see section 13.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
    Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
    Provide appropriate exhaust ventilation at places where dust is formed.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
  Specific end uses
    no data available

Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
    at the end of workday.
  Personal protective equipment
  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
    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.
  Body Protection
    Complete suit protecting against chemicals, The type of protective equipment must be selected
    according to the concentration and amount of the dangerous substance at the specific workplace.
  Respiratory protection
    For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
    level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
    Use respirators and components tested and approved under appropriate government standards
    such as NIOSH (US) or CEN (EU).

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Information on basic physical and chemical properties
    a) Appearance        Form: solid    
    b) Odour        no data available    
    c) Odour Threshold        no data available    
    d) pH        no data available    
    e) Melting point/freezing        no data available    
    point
    f) Initial boiling point and no data available
    boiling range
    g) Flash point        no data available    
    h) Evaporation rate        no data available    
    i) Flammability (solid, gas) no data available
    j) Upper/lower        no data available    
    flammability or
    explosive limits
    k) Vapour pressure        no data available    
    l) Vapour density        no data available    
    m) Relative density        no data available    
    n) Water solubility        no data available    
    o) Partition coefficient: n- no data available
    octanol/water
    p) Autoignition        no data available    
    temperature
    q) Decomposition        no data available    
    temperature
    r) Viscosity        no data available    
    s) Explosive properties        no data available    
    t) Oxidizing properties        no data available    
  Other safety information
    no data available

Section 10. STABILITY AND REACTIVITY
  Reactivity
    no data available
  Chemical stability
    no data available
  Possibility of hazardous reactions
    no data available
  Conditions to avoid
    no data available
  Incompatible materials
    Strong oxidizing agents, Strong bases
  Hazardous decomposition products
    Other decomposition products - no data available

Section 11. TOXICOLOGICAL INFORMATION
  Information on toxicological effects
  Acute toxicity
    LD50 Oral - mouse - 560 mg/kg
    Remarks: Behavioral:Change in motor activity (specific assay). Gastrointestinal:Other changes.
  Skin corrosion/irritation
    no data available
  Serious eye damage/eye irritation
    no data available
  Respiratory or skin sensitization
    no data available
  Germ cell mutagenicity
    no data available
  Carcinogenicity
    IARC:        No component of this product present at levels greater than or equal to 0.1% is identified as    
    probable, possible or confirmed human carcinogen by IARC.
  Reproductive toxicity
    no data available
  Specific target organ toxicity - single exposure
    no data available
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Potential health effects
  Inhalation        May be harmful if inhaled. May cause respiratory tract irritation.    
  Ingestion        Harmful if swallowed.    
  Skin
    May be harmful if absorbed through skin. May cause skin irritation.
  Eyes        May cause eye irritation.    
  Signs and Symptoms of Exposure
    Overexposure can cause sodium retention and potassium loss leading to hypertension, water retention,
    and electrolyte imbalance.
  Additional Information
    RTECS: RK0190000

Section 12. ECOLOGICAL INFORMATION
  Toxicity
    no data available
  Persistence and degradability
    no data available
  Bioaccumulative potential
    no data available
  Mobility in soil
    no data available
  Results of PBT and vPvB assessment
    no data available
  Other adverse effects
    no data available

Section 13. DISPOSAL CONSIDERATIONS
  Waste treatment methods
  Product
    Offer surplus and non-recyclable solutions to a licensed disposal company. Dissolve or mix the material
    with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
  Contaminated packaging
    Dispose of as unused product.

Section 14. TRANSPORT INFORMATION
  UN number
    ADR/RID: -        IMDG: -        IATA: -    
  UN proper shipping name
    ADR/RID: Not dangerous goods
    IMDG: Not dangerous goods
    IATA:        Not dangerous goods    
  Transport hazard class(es)
    ADR/RID: -        IMDG: -        IATA: -    
  Packaging group
    ADR/RID: -        IMDG: -        IATA: -    
  Environmental hazards
    ADR/RID: no        IMDG Marine pollutant: no        IATA: no    
  Special precautions for user
    no data available

Section 15. REGULATORY INFORMATION
    This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
  Safety, health and environmental regulations/legislation specific for the substance or mixture
    no data available
  Chemical Safety Assessment
    no data available

Section 16. OTHER INFORMATION
  Further information
    Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use
    only.
    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. Corporation and its Affiliates shall not be held
    liable for any damage resulting from handling or from contact with the above product. See
     and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

分子结构与计算化学数据展开↓

分子结构数据


1、   摩尔折射率:133.69

2、   摩尔体积(cm3/mol):411.6

3、   等张比容(90.2K):1082.2

4、   表面张力(dyne/cm): 47.7

5、   介电常数:无可用

6、   偶极距(10-24cm3):无可用

7、   极化率:52.99

计算化学数据


1、   疏水参数计算参考值(XlogP):6.4

2、   氢键供体数量:2

3、   氢键受体数量:4

4、   可旋转化学键数量:1

5、   互变异构体数量:5

6、   拓扑分子极性表面积(TPSA):74.6

7、   重原子数量:34

8、   表面电荷:0

9、   复杂度:965

10、   同位素原子数量:0

11、   确定原子立构中心数量:8

12、   不确定原子立构中心数量:1

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

上下游相关产品

上游产品

更多
  • 471-53-4

    甘草次酸

  • 650140-36-6

    N/A

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便