57819-56-4

• 常用中文名：1,2:5,6-双-O-(1-甲基亚乙基)-3-甲基-1D-手性肌醇
• 常用英文名：1 2:5 6-BIS-O-(1-METHYLETHYLIDENE)-3-
• CAS号：57819-56-4
• 分子式：C₁₃H₂₂O₆
• 分子量：274.31000
• 发布时间：2018-12-10 10:43:24
• 更新时间：2024-02-05 12:40:03

名称

• 中文名: 1,2:5,6-双-O-(1-甲基亚乙基)-3-甲基-1D-手性肌醇
• 英文名: 1,2:5,6-Di-O-isopropylidene-D-chiro-inositol
• 中文别名: 1,2:5,6-二-O-异亚丙基-D-手性肌醇
• 英文别名: MFCD00272689

物化性质

• 熔点: 105-108 °C(lit.)
• 分子式: C₁₃H₂₂O₆
• 分子量: 274.31000
• 精确质量: 274.14200
• PSA: 66.38000
• LogP: 0.41610
• 储存条件:

  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:

  遵照规定使用和储存则不会分解。

• 分子结构:

  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:

  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

• 更多:

  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

MSDS

Date Updated: 20/AUG/2008 Version 1.3 Regulation (EC) No 1907/2006 ________________________________________________________________________ 1 - Product and Company Information ________________________________________________________________________ Product Name1,2:5,6-DI-O-ISOPROPYLIDENE-D-CHIRO-INOS ITOL, 98% Product Number532347 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 NameCAS #EC noAnnex I Index Number 1,2:5,6-DI-O-ISOPROPYLIDENE-D-CHIR NoneNoneNone O-INOSITOL FormulaC13H20O6 Molecular Weight 260,2800 AMU Synonyms1,2:5,6-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 ________________________________________________________________________ AppearancePhysical State: Solid PropertyValueAt Temperature or Pressure pHN/A BP/BP RangeN/A MP/MP RangeN/A Flash PointN/A FlammabilityN/A Autoignition TempN/A Oxidizing Properties N/A Explosive Properties N/A Explosion LimitsN/A Vapor PressureN/A Partition Coefficient N/A ViscosityN/A Vapor DensityN/A Saturated Vapor Conc. N/A Evaporation RateN/A Bulk DensityN/A Decomposition Temp.N/A Solvent ContentN/A Water ContentN/A Surface TensionN/A ConductivityN/A Miscellaneous DataN/A SolubilityN/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

毒性和生态

生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。