7776-28-5

• 常用中文名：植酸钙
• 常用英文名：phytin
• CAS号：7776-28-5
• 分子式：C₆H₆Ca₆O₂₄P₆
• 分子量：888.408
• 相关类别： 原料药 水、电解质及酸碱平衡调节药 电解质平衡调节药
• 发布时间：2018-06-30 18:09:23
• 更新时间：2024-01-08 10:21:05

名称

• 中文名: 植酸钙
• 英文名: hexacalcium,(2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate
• 中文别名: 肌醇六磷酸钙
• 英文别名: Hexacalcium phytate; hexacalcium myo-inositol hexakis(phosphate); Inositol hexaphosphate calcium salt; CALCIUM PHYTATE; UNII-L1WK0T5S7Z; EINECS 231-897-9; calcium fytate; EINECS 222-798-1

物化性质

• 沸点: 1190.7ºC at 760 mmHg
• 分子式: C₆H₆Ca₆O₂₄P₆
• 分子量: 888.408
• 闪点: 673.9ºC
• 精确质量: 887.543030
• PSA: 493.38000
• LogP: 2.12580
• 外观性状: 白色粉末/固体略可溶于水,略可溶于丙酮,略可溶于乙醇
• 计算化学:

  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:24

  4.可旋转化学键数量:6

  5.互变异构体数量:无

  6.拓扑分子极性表面积435

  7.重原子数量:42

  8.表面电荷:0

  9.复杂度:749

  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:7

• 更多:

  1. 性状：未确定

  2. 密度（g/mL 25ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC，常压）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率（n20/D）：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（25℃）：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(mg/mL)：未确定

MSDS

Section 1. Chemical Product and Company Identification Inositol Hexaphosphate Calcium salt Common Name/ Trade Name Manufacturer Commercial Name(s) Synonym Chemical Name Chemical Family Inositol Hexaphosphate Calcium salt Section 4. First Aid Measures Eye ContactCheck for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Cold water may be used. WARM water MUST be used. Get medical attention if irritation occurs. Skin ContactWash with soap and water. Cover the irritated skin with an emollient. Get medical attention if irritation develops. Serious Skin ContactNot available. InhalationIf inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical attention. Serious InhalationNot available. IngestionDo NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. If large quantities of this material are swallowed, call a physician immediately. Loosen tight clothing such as a collar, tie, belt or waistband. Serious IngestionNot available. Section 5. Fire and Explosion Data Flammability of the Product May be combustible at high temperature. Auto-Ignition Temperature Not available. Flash PointsNot available. Flammable LimitsNot available. These products are carbon oxides (CO, CO2), phosphates. Some metallic oxides. Products of Combustion Fire Hazards in Presence of Slightly flammable to flammable in presence of heat. Various Substances Explosion Hazards in Presence Slightly explosive in presence of open flames and sparks. of Various SubstancesNon-explosive in presence of shocks. Fire Fighting MediaSMALL FIRE: Use DRY chemical powder. and InstructionsLARGE FIRE: Use water spray, fog or foam. Do not use water jet. Special Remarks onWhen heated to decomposition it emits highly toxic fumes of phosphorus oxides, and phosphates Fire Hazards Special Remarks on Explosion Fine dust dispersed in air in sufficient concentrations, and in the presence of an ignition source is a potential dust Hazardsexplosion hazard. Section 6. Accidental Release Measures Small SpillUse appropriate tools to put the spilled solid in a convenient waste disposal container. Finish cleaning by spreading water on the contaminated surface and dispose of according to local and regional authority requirements. Large Spill Use a shovel to put the material into a convenient waste disposal container. Finish cleaning by spreading water on the contaminated surface and allow to evacuate through the sanitary system. Inositol Hexaphosphate Calcium salt Section 7. Handling and Storage PrecautionsKeep away from heat. Keep away from sources of ignition. Ground all equipment containing material. Do not breathe dust. Keep away from incompatibles such as oxidizing agents. StorageKeep container tightly closed. Keep container in a cool, well-ventilated area. Section 8. Exposure Controls/Personal Protection Engineering ControlsUse process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below 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 of Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be used a Large Spillto avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling this product. Exposure LimitsNot available. Section 9. Physical and Chemical Properties Physical state and appearance Solid. (Powdered solid.)OdorNot available. TasteNot available. Molecular Weight900.56 g/mole ColorWhite. pH (1% soln/water)Not available. Boiling PointNot available. Melting PointNot available. Critical TemperatureNot available. Not available. Specific Gravity Vapor PressureNot applicable. Vapor DensityNot available. VolatilityNot available. Odor ThresholdNot available. Not available. Water/Oil Dist. Coeff. Ionicity (in Water)Not available. Not available. Dispersion Properties SolubilityVery slightly soluble in cold water. Section 10. Stability and Reactivity Data StabilityThe product is stable. Not available. Instability Temperature Conditions of InstabilityExcess heat, incompatible materials Incompatibility with variousReactive with oxidizing agents. substances CorrosivityNot available. Inositol Hexaphosphate Calcium salt Special Remarks onNot available. Reactivity Special Remarks onNot available. Corrosivity PolymerizationWill not occur. Section 11. Toxicological Information Routes of EntryInhalation. Ingestion. Toxicity to AnimalsLD50: Not available. LC50: Not available. Chronic Effects on Humans Not available. Other Toxic Effects onSlightly hazardous in case of skin contact (irritant), of ingestion, of inhalation. Humans Special Remarks onNot available. Toxicity to Animals Special Remarks on Not available. Chronic Effects on Humans Special Remarks on otherAcute Potential Health Effects: Toxic Effects on HumansSkin: May cause skin irritation. Eyes: May cause eye irritation. Inhalation: May cause upper respiratory tract irritation. Ingestion: May cause gastroinestinal tract irritation. No information found Section 12. Ecological Information EcotoxicityNot available. BOD5 and CODNot available. Products of BiodegradationPossibly hazardous short term degradation products are not likely. However, long term degradation products may arise. Toxicity of the ProductsThe product itself and its products of degradation are not toxic. of Biodegradation Special Remarks on theNot available. Products of Biodegradation Section 13. Disposal Considerations Waste DisposalWaste must be disposed of in accordance with federal, state and local environmental control regulations. Section 14. Transport Information DOT ClassificationNot a DOT controlled material (United States). IdentificationNot applicable. Special Provisions forNot applicable. Transport Inositol Hexaphosphate Calcium salt DOT (Pictograms) Section 15. Other Regulatory Information and Pictograms No products were found. Federal and State Regulations CaliforniaCalifornia prop. 65: This product contains the following ingredients for which the State of California has found to 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 RegulationsEINECS: This product is on the European Inventory of Existing Commercial Chemical Substances. WHMIS (Canada) Not controlled under WHMIS (Canada). Other Classifications DSCL (EEC)This product is not classified according Not applicable. 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) TDG (Canada) (Pictograms) ADR (Europe) (Pictograms) Protective Equipment Gloves. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent. Inositol Hexaphosphate Calcium salt SECTION 16 - ADDITIONAL INFORMATION N/A

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17211-15-3 ~% 7776-28-5

文献：Journal of the American Chemical Society, , vol. 102, # 9 p. 3144 - 3148

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