1,2:5,6-二-O-异亚丙基-D-chiro-肌醇

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

1,2:5,6-二-O-异亚丙基-D-chiro-肌醇 基本信息

中文名称:
1,2:5,6-二-O-异亚丙基-D-chiro-肌醇 
中文别名:
1,2:5,6-双-O-(1-甲基亚乙基)-3-甲基-1D-手性肌醇;
1,2:5,6-二-O-异亚丙基-D-手性肌醇 
英文名称:
1,2:5,6-Di-O-isopropylidene-D-chiro-inositol
英文别名:
1,2:5,6-Di-O-isopropylidene-D-chiro-inositol;
1 2:5 6-BIS-O-(1-METHYLETHYLIDENE)-3-;
1,2:5,6-BIS-O-(1-METHYLETHYLIDENE)-3-MET;
D-chiro-Inositol, 3-O-methyl-1,2:5,6-bis-O-(1-methylethylidene)- 
CAS No.:
57819-56-4
分 子 式:
C13H22O6
分 子 量:
274.31
精确分子量:
274.14200
PSA:
66.38000
MDL:
MFCD00272689
InChI:
The Key: IPNUFAHKROGNMZ-CQZONYGUSA-N
分子结构式:
SDS:
查看

1,2:5,6-二-O-异亚丙基-D-chiro-肌醇 物化性质

熔点:
105-108 °C(lit.)
存储条件/存储方法:

 

保持贮藏器密封

放入紧密的贮藏器内,储存在阴凉,干燥的地方

稳定性相关:

 

遵照规定使用和储存则不会分解。

其它信息:

1.       性状:无可用

2.       密度(g/mL,25/4):无可用

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):105-108

5.       沸点(ºC,常压):无可用

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:无可用

8.       闪点(ºC):无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V):无可用

19.    溶解性:无可用

1,2:5,6-二-O-异亚丙基-D-chiro-肌醇 毒理性

生态数据:

 

该物质对环境可能有危害,对水体应给予特别注意。

1,2:5,6-二-O-异亚丙基-D-chiro-肌醇 MSDS

    Date Updated: 20/AUG/2008
    Version 1.3
    Regulation (EC) No 1907/2006
    ________________________________________________________________________
    1 - Product and Company Information
    ________________________________________________________________________
    Product Name        1,2:5,6-DI-O-ISOPROPYLIDENE-D-CHIRO-INOS    
    ITOL, 98%
    Product Number        532347    
    Company
    Century Ba-Shi Building 22A-B,
    200020 Shanghai
    Technical Phone #        86-21-61415566    
    Fax 86-21-61415567
    E-mail Address
    ________________________________________________________________________
    2 - Hazards Identification
    ________________________________________________________________________
    SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
    Not hazardous according to Directive 67/548/EEC.
    ________________________________________________________________________
    3 - Composition/Information on Ingredients
    ________________________________________________________________________
    Product Name        CAS #        EC no        Annex I    
    Index Number
    1,2:5,6-DI-O-ISOPROPYLIDENE-D-CHIR None        None        None    
    O-INOSITOL
    Formula        C13H20O6    
    Molecular Weight 260,2800 AMU
    Synonyms        1,2:5,6-Bis-O-(1-methylethylidene)-1D-chiro-inosi    
    tol * Pinitol diacetonide
    ________________________________________________________________________
    4 - First Aid Measures
    ________________________________________________________________________
    AFTER INHALATION
    If inhaled, remove to fresh air. If breathing becomes difficult,
    call a physician.
    AFTER SKIN CONTACT
    In case of contact, immediately wash skin with soap and copious
    amounts of water.
    AFTER EYE CONTACT
    In case of contact with eyes, flush with copious amounts of
    water for at least 15 minutes. Assure adequate flushing by
    separating the eyelids with fingers. Call a physician.
    AFTER INGESTION
    If swallowed, wash out mouth with water provided person is
    conscious. Call a physician.
    ________________________________________________________________________
    5 - Fire Fighting Measures
    ________________________________________________________________________
    EXTINGUISHING MEDIA
    Suitable: Water spray. Carbon dioxide, dry chemical powder, or
    appropriate foam.
    SPECIAL RISKS
    Specific Hazard(s): Emits toxic fumes under fire conditions.
    SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
    Wear self-contained breathing apparatus and protective clothing
    to prevent contact with skin and eyes.
    ________________________________________________________________________
    6 - Accidental Release Measures
    ________________________________________________________________________
    PROCEDURE(S) OF PERSONAL PRECAUTION(S)
    Exercise appropriate precautions to minimize direct contact with
    skin or eyes and prevent inhalation of dust.
    METHODS FOR CLEANING UP
    Sweep up, place in a bag and hold for waste disposal. Avoid
    raising dust. Ventilate area and wash spill site after material
    pickup is complete.
    ________________________________________________________________________
    7 - Handling and Storage
    ________________________________________________________________________
    HANDLING
    Directions for Safe Handling: Avoid inhalation. Avoid contact
    with eyes, skin, and clothing. Avoid prolonged or repeated
    exposure.
    STORAGE
    Conditions of Storage: Keep tightly closed.
    ________________________________________________________________________
    8 - Exposure Controls / Personal Protection
    ________________________________________________________________________
    ENGINEERING CONTROLS
    Safety shower and eye bath. Mechanical exhaust required.
    GENERAL HYGIENE MEASURES
    Wash thoroughly after handling.
    PERSONAL PROTECTIVE EQUIPMENT
    Respiratory Protection: Use respirators and components tested and
    approved under appropriate government standards such as NIOSH (US)
    or CEN (EU). 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.
    Hand Protection: Protective gloves.
    Eye Protection: Chemical safety goggles.
    ________________________________________________________________________
    9 - Physical and Chemical Properties
    ________________________________________________________________________
    Appearance        Physical State: Solid    
    Property        Value        At Temperature or Pressure    
    pH        N/A    
    BP/BP Range        N/A    
    MP/MP Range        N/A    
    Flash Point        N/A    
    Flammability        N/A    
    Autoignition Temp        N/A    
    Oxidizing Properties N/A
    Explosive Properties N/A
    Explosion Limits        N/A    
    Vapor Pressure        N/A    
    Partition Coefficient N/A
    Viscosity        N/A    
    Vapor Density        N/A    
    Saturated Vapor Conc. N/A
    Evaporation Rate        N/A    
    Bulk Density        N/A    
    Decomposition Temp.        N/A    
    Solvent Content        N/A    
    Water Content        N/A    
    Surface Tension        N/A    
    Conductivity        N/A    
    Miscellaneous Data        N/A    
    Solubility        N/A    
    ________________________________________________________________________
    10 - Stability and Reactivity
    ________________________________________________________________________
    STABILITY
    Stable: Stable.
    Materials to Avoid: Strong oxidizing agents.
    HAZARDOUS DECOMPOSITION PRODUCTS
    Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide.
    HAZARDOUS POLYMERIZATION
    Hazardous Polymerization: Will not occur
    ________________________________________________________________________
    11 - Toxicological Information
    ________________________________________________________________________
    SIGNS AND SYMPTOMS OF EXPOSURE
    To the best of our knowledge, the chemical, physical, and
    toxicological properties have not been thoroughly investigated.
    ROUTE OF EXPOSURE
    Skin Contact: May cause skin irritation.
    Skin Absorption: May be harmful if absorbed through the skin.
    Eye Contact: May cause eye irritation.
    Inhalation: Material may be irritating to mucous membranes and
    upper respiratory tract. May be harmful if inhaled.
    Ingestion: May be harmful if swallowed.
    ________________________________________________________________________
    12 - Ecological Information
    ________________________________________________________________________
    No data available.
    ________________________________________________________________________
    13 - Disposal Considerations
    ________________________________________________________________________
    SUBSTANCE DISPOSAL
    Contact a licensed professional waste disposal service to dispose
    of this material. Dissolve or mix the material with a combustible
    solvent and burn in a chemical incinerator equipped with an
    afterburner and scrubber. Observe all federal, state, and local
    environmental regulations.
    ________________________________________________________________________
    14 - Transport Information
    ________________________________________________________________________
    RID/ADR
    Non-hazardous for road transport.
    IMDG
    Non-hazardous for sea transport.
    IATA
    Non-hazardous for air transport.
    ________________________________________________________________________
    15 - Regulatory Information
    ________________________________________________________________________
    Not hazardous according to Directive 67/548/EEC.
    Caution: Substance not yet fully tested (EU).
    COUNTRY SPECIFIC INFORMATION
    Germany
    WGK: 3
    Self-Classification
    ________________________________________________________________________
    16 - Other Information
    ________________________________________________________________________
    WARRANTY
    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
    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.
    unlimitedpaper copies for internal use only.
    DISCLAIMER
    For R&D use only. Not for drug, household or other uses.


模块 15 - 法规信息
N/A


模块16 - 其他信息
N/A

1,2:5,6-二-O-异亚丙基-D-chiro-肌醇 分子结构与计算化学数据

分子结构数据

1、   疏水参数计算参考值(XlogP):0

2、   氢键供体数量:1

3、   氢键受体数量:6

4、   可旋转化学键数量:1

5、   拓扑分子极性表面积(TPSA):66.4

6、   重原子数量:19

7、   表面电荷:0

8、   复杂度:368

9、   同位素原子数量:0

10、   确定原子立构中心数量:6

11、   不确定原子立构中心数量:0

12、   确定化学键立构中心数量:0

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:1

计算化学数据

1.疏水参数计算参考值(XlogP):0

2.氢键供体数量:1

3.氢键受体数量:6

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积66.4

7.重原子数量:19

8.表面电荷:0

9.复杂度:368

10.同位素原子数量:0

11.确定原子立构中心数量:6

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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