欧前胡素

  • 基本信息
  • 物化性质
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品

欧前胡素 基本信息

中文名称:
欧前胡素 
中文别名:
欧前胡素;
前胡素 
英文名称:
7H-Furo[3,2-g][1]benzopyran-7-one,9-[(3-methyl-2-buten-1-yl)oxy]-
英文别名:
imperatorin;
MARMELOSIN;
Imperatorin;
Enoxypsoralen;
Marmelide;
Pentosalen;
8-ISOAMYLEN;
AMMIDIN 
CAS No.:
482-44-0
分 子 式:
C16H14O4
分 子 量:
270.28
精确分子量:
270.08900
PSA:
52.58000
EINECS:
207-581-1
InChI:
InChI=1/C16H14O4/c1-10(2)5-7-19-16-14-12(6-8-18-14)9-11-3-4-13(17)20-15(11)16/h3-6,8-9H,7H2,1-2H3
分子结构式:
SDS:
查看

欧前胡素 物化性质

外观与性状:
灰白色粉末
密度:
1.242 g/cm3
熔点:
98-100ºC
沸点:
448.3ºC at 760 mmHg
闪点:
224.9ºC
折射率:
1.606
蒸汽压:
3.13E-08mmHg at 25°C

欧前胡素 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
LV1575000
CHEMICAL NAME :
7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((3-methyl-2-butenyl)oxy)-
CAS REGISTRY NUMBER :
482-44-0
LAST UPDATED :
199410
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C16-H14-O4
MOLECULAR WEIGHT :
270.30
WISWESSER LINE NOTATION :
T C566 DO LVOTJ BO2UY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
330 mg/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 :
Parenteral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation in mammalian somatic cells
TEST SYSTEM :
Rodent - hamster Lung
DOSE/DURATION :
5 mg/L
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 43,1054,1983

欧前胡素 MSDS


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
    Product name        : Imperatorin    

Section 2. HAZARDS IDENTIFICATION
  Classification of the substance or mixture
    Not a dangerous substance according to GHS.
    This substance is not classified as dangerous according to Directive 67/548/EEC.
  Label elements
    The product does not need to be labelled in accordance with EC directives or respective national laws.
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
    Synonyms        : 9-[(3-Methyl-2-buten-1-yl)oxy]-7h-furo[3,2-g][1]benzopyran-7-one    
    Ammidin
    Marmelide
    Marmelosin
    NSC 402949
    Formula        : C16H14O4    
    Molecular Weight        : 270,28 g/mol    
    CAS-No.        EC-No.        Index-No.        Classification        Concentration    
  9-(3-Methylbut-2-enyloxy)-7H-furo[3,2-g]chromen-7-one
    482-44-0        207-581-1        -        -        -    

Section 4. FIRST AID MEASURES
  If inhaled
    If breathed in, move person into fresh air. If not breathing, give artificial respiration.
  In case of skin contact
    Wash off with soap and plenty of water.
  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.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing media
    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
  Special protective equipment for fire-fighters
    Wear self contained breathing apparatus for fire fighting if necessary.

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions
    Avoid dust formation. Avoid breathing vapors, mist or gas.
  Environmental precautions
    Do not let product enter drains.
  Methods and materials for containment and cleaning up
    Sweep up and shovel. Keep in suitable, closed containers for disposal.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
    Provide appropriate exhaust ventilation at places where dust is formed. Normal measures for preventive fire
    protection.
  Conditions for safe storage
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
    Recommended storage temperature: 2 - 8 °C

Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
  Personal protective equipment
  Respiratory protection
    Respiratory protection is not required. Where protection from nuisance levels of dusts are desired, use
    type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and approved
    under appropriate government standards such as NIOSH (US) or CEN (EU).
  Hand 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.
  Eye protection
    Use equipment for eye protection tested and approved under appropriate government standards such as
    NIOSH (US) or EN 166(EU).
  Skin and body protection
    Choose body protection in relation to its type, to the concentration and amount of dangerous substances,
    and to the specific work-place., The type of protective equipment must be selected according to the
    concentration and amount of the dangerous substance at the specific workplace.
  Hygiene measures
    General industrial hygiene practice.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Appearance
    Form        solid    
    Colour        off-white, light brown    
  Safety data
    pH        no data available    
    Melting point        98 - 100 °C    
    Boiling point        no data available    
    Flash point        no data available    
    Ignition temperature        no data available    
    Lower explosion limit        no data available    
    Upper explosion limit        no data available    
    Water solubility        no data available    
    Partition coefficient:        log Pow: 3,72    
    n-octanol/water

Section 10. STABILITY AND REACTIVITY
  Chemical stability
    Stable under recommended storage conditions.
  Conditions to avoid
    no data available
  Materials to avoid
    Strong oxidizing agents
  Hazardous decomposition products
    Hazardous decomposition products formed under fire conditions. - Carbon oxides

Section 11. TOXICOLOGICAL INFORMATION
  Acute toxicity
    no data available
  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        May be 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
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly
    investigated.
  Additional Information
    RTECS: Not available

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
  PBT and vPvB assessment
    no data available
  Other adverse effects
    no data available

Section 13. DISPOSAL CONSIDERATIONS
  Product
    Offer surplus and non-recyclable solutions to a licensed disposal company.
  Contaminated packaging
    Dispose of as unused product.

Section 14. TRANSPORT INFORMATION
  ADR/RID
    Not dangerous goods
  IMDG
    Not dangerous goods
  IATA
    Not dangerous goods

Section 15. REGULATORY INFORMATION
    This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.

Section 16. OTHER INFORMATION
  Further information
    Copyright 2010 Co. 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. Co., shall not be held liable for any damage resulting from
    handling or from contact with the above product. See reverse side of invoice or packing slip for additional
    terms and conditions of sale.

欧前胡素 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:0

3.氢键受体数量:4

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积:48.7

7.重原子数量:20

8.表面电荷:0

9.复杂度:436

10.同位素原子数量:0

11.确定原子立构中心数量:0

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

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