CAS: 87-89-8; Rel-(1R,2R,3S,4R,5S,6S)-Cyclohexane-1,2,3,4,5,6-Hexaol

• 英文名称Rel-(1R,2R,3S,4R,5S,6S)-Cyclohexane-1,2,3,4,5,6-Hexaol
• 中文名称肌醇
• IUPAC名称(1R,2r,3S,4R,5s,6S)-cyclohexane-1,2,3,4,5,6-hexaol
• 其它别名I-肌醇; 123456六羟基环己烷; Myo-Inositol; Meso-Inositol
• CAS编号87-89-8
• MFCD编号:MFCD00077932
• EINECS号:201-781-2
• 分子式:C6H12O6
• 分子量:180.16
• 产品CID: 1887904
• 产品分类有机原料→分子砌块→脂肪环类化合物→环己烷类化合物

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: CDAISMWEOUEBRE-GPIVLXJGNA-N
• InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-…
• 计算化学: 氢键受体数6.0氢键供体数6.0可旋转键数0.0

相似化合物

物理性质

• 熔点222-227 °C
• 沸点232.96 °C at 760 mmHg
• 闪点143.4±21.9 °C
• 密度2.0±0.1 g/cm3
• pKa:12.63±0.70(预测)
• PSA:121.38
• LogP:-3.8346
• 折射率1.784
• 蒸汽压0.0±1.4 mmHg at 25°C
• 溶解性H2O: 0.5M at20 °C, clear, colorless
• 敏感性在空气中稳定。水溶液对石蕊呈中性。
• 外观形态白色粉末
• 储存条件Store at room temperature
• 产品应用该品为复合维生素B之一,能促进细胞的新陈代谢,改善细胞营养的作用,能助长发育,增进食欲,恢复体力.并能阻止肝脏中脂肪积存,加速去除心脏中过多的脂肪,与胆碱有协同的趋脂作用,因此用于治疗肝脂防过多症,肝硬化症.按我国卫生部颁布的<食品营养强化剂使用卫生标准(1993)>规定,可用于婴幼儿食品及强化饮料,其用量均为380-790mg/kg.维生素类药及降血脂药,促进肝及其它组织中的脂肪新陈代谢,用于脂肪肝,高血脂的辅助治疗.广泛应用于食品和饮料添加剂方面
• 性质描述不含结晶水者为无吸湿性的白色结晶性粉末.含二分子结晶水的为风化性结晶,100°C失水.熔点225-227°C(无水物),218°C(二水合物).在水中溶解度:25°C时14g/100ml,60°C时28g/100ml.不溶于醚,微溶于醇.无臭,味甜.在空气中稳定.

MSDS等安全信息

• GHS符号GHS07
• 危险类别特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2A
• 警示词Warning
• 危险描述H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• UN编号NONH for all modes of transport
• 危险品标志F+
• 安全声明S24/25
• WGK Germany2.0

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 Inositol 主要起始原料 Methyl 2,3,4-Tri-O-Benzyl-Alpha-D-Glucopyranoside
• 9005-25-8 + 9050-36-6 = 87-89-8
  反应条件:1.1R:Mgcl2,R:Po43-,C:9035-74-9,C:9001-81-4,C:9032-95-5,C:37184-63-7,C:9067-73-6,C:9032-09-1,S:H2O,70°C,Ph 7.21.2R:Et3N,R:HCLo4,S:H2O,Neutralized
  标题:An In Vitro Synthetic Biology Platform For The Industrial Biomanufacturing Of Myo-Inositol From Starch
  作者:By You,Chun Et Al
  参考文献:Biotechnology And Bioengineering 日期:2017 卷标:114(8) 页码:1855-1864]
  
  57-50-1 = 87-89-8
  反应条件:1.1R:R:R:R:50°C,Ph 7.51.2R:Koh,R:HCLo4,S:H2O,Neutralized
  标题:Thermal Cycling Cascade Biocatalysis Of Myo-Inositol Synthesis From Sucrose
  作者:By Zhong,Chao Et Al
  参考文献:Acs Catalysis 日期:2017 卷标:7(9) 页码:5992-5999]
  
  130669-73-7 = 87-89-8
  反应条件:1.1
  标题:Product Class 8: Polyols,Including Carbohydrates
  作者:By Brown,R. C. D.
  参考文献:Science Of Synthesis 日期:2008 卷标:36 页码:799-845]
  
  = 87-89-8
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water; 1 H,Rt
  标题:Waste-Free And Facile Solid-State Protection Of Diamines,Anthranilic Acid,Diols,And Polyols With Phenylboronic Acid
  作者:Kaupp,Gerd; Et Al
  参考文献:Chemistry - A European Journal 日期:2003 卷标:9(17) 页码:4156-4160]
  
  98974-89-1 = 87-89-8
  反应条件:1.1 Catalysts: Palladium Dihydroxide Solvents: Methanol; 8 H,Reflux
  标题:Hydroxyl Group Deprotection Reactions With Pd(Oh)2/c: A Convenient Alternative To Hydrogenolysis Of Benzyl Ethers And Acid Hydrolysis Of Ketals
  作者:Murali,Chebrolu; Et Al
  参考文献:Tetrahedron 日期:2007 卷标:63(19) 页码:4149-4155]
  
  114847-11-9 = 87-89-8
  反应条件:1.1 Catalysts: Palladium Dihydroxide Solvents: Methanol; 72 H,Reflux
  标题:Hydroxyl Group Deprotection Reactions With Pd(Oh)2/c: A Convenient Alternative To Hydrogenolysis Of Benzyl Ethers And Acid Hydrolysis Of Ketals
  作者:Murali,Chebrolu; Et Al
  参考文献:Tetrahedron 日期:2007 卷标:63(19) 页码:4149-4155]
  
  98974-90-4 = 87-89-8
  反应条件:1.1 Catalysts: Palladium Dihydroxide Solvents: Methanol; 22 H,Reflux
  标题:Hydroxyl Group Deprotection Reactions With Pd(Oh)2/c: A Convenient Alternative To Hydrogenolysis Of Benzyl Ethers And Acid Hydrolysis Of Ketals
  作者:Murali,Chebrolu; Et Al
  参考文献:Tetrahedron 日期:2007 卷标:63(19) 页码:4149-4155]
  
  7336-80-3 = 87-89-8
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water
  标题:Synthesis Of Inositol-5-Monophosphoric Acid And Scyllitol Monophosphoric Acid
  作者:Iselin,Beat M.
  参考文献:Journal Of The American Chemical Society 日期:1949 卷标:71 页码:3822-5]
  
  488-65-3 = 87-89-8
  反应条件:1.1 Reagents: Sodium Solvents: Acetic Acid,Water
  标题:Studies On Hygromycin. The Synthesis Of Certain Degradation Products Of The Antibiotic
  作者:Allen,George R. Jr.
  参考文献:Journal Of The American Chemical Society 日期:1962 卷标:84 页码:3128-32]
  
  9050-36-6 = 87-89-8
  反应条件:1.1R:Mgcl2,C:9067-73-6,S:H2O,70°C,Ph 5.5
  标题:High-Titer Production Of Myo-Inositol By A Co-Immobilized Four-Enzyme Cocktail In Biomimetic Mineralized Microcapsules
  作者:By Han,Pingping Et Al
  参考文献:Chemical Engineering Journal (Amsterdam 日期:2023 卷标:461 页码:141946]
  
  9005-84-9 = 87-89-8
  反应条件:1.1R:Cacl2,R:Mgcl2,C:1533401-58-9,C:1584263-85-3,C:9035-74-9,C:9001-81-4,C:9032-95-5,C:37184-63-7,S:H2O,48 H,Rt,Ph 7.21.2R:R:Po43-,70°C
  标题:Biofilm-Mediated Immobilization Of A Multienzyme Complex For Accelerating Inositol Production From Starch
  作者:By Liu,Meixia Et Al
  参考文献:Bioconjugate Chemistry 日期:2021 卷标:32(9) 页码:2032-2042]
  
  50-99-7 = 87-89-8
  反应条件:1.1C:9033-50-5,C:9032-95-5,C:37184-63-7,S:H2O,12 H,37°C,Ph 7
  标题:Production Of Myo-Inositol From Glucose By A Novel Trienzymatic Cascade Of Polyphosphate Glucokinase,Inositol 1-Phosphate Synthase And Inositol Monophosphatase
  作者:By Lu,Yiping Et Al
  参考文献:Enzyme And Microbial Technology 日期:2018 卷标:112 页码:1-5]
  
  114847-11-9 = 87-89-8
  反应条件:1.1C:Pd(Oh)2,S:Meoh,72 H,Reflux
  标题:Elaboration Of The Ether Cleaving Ability And Selectivity Of The Classical Pearlman'S Catalyst [pd(Oh)2/c]: Concise Synthesis Of A Precursor For A Myo-Inositol Pyrophosphate
  作者:By Mart,Alson And Shashidhar,Mysore S.
  参考文献:Tetrahedron 日期:2012 卷标:68(47) 页码:9769-9776]
  
  1073195-31-9 = 87-89-8 + 77988-07-9
  反应条件:1.1R:HCL,S:Meoh,2 H,Reflux1.2R:Ag2Co3,Neutralized
  标题:Macropyllanosides A-D,Secoiridoid Glycosides From Hydrangea Macrophylla Subsp. Serrata
  作者:By Kikuchi,Masao Et Al
  参考文献:Heterocycles 日期:2008 卷标:76(1) 页码:313-320]
  
  865534-12-9 = 87-89-8
  反应条件:1.1R:Nah,S:Dmf,15 Min,0°C1.21 H,Rt1.3R:Nah,15 H,Rt1.412 H,Rt2.1R:H2,C:Pd(Oh)2,S:Meoh,13 H,Rt,55 Psi
  标题:Hydroxyl Group Deprotection Reactions With Pd(Oh)2/c: A Convenient Alternative To Hydrogenolysis Of Benzyl Ethers And Acid Hydrolysis Of Ketals
  作者:By Murali,Chebrolu Et Al
  参考文献:Tetrahedron 日期:2007 卷标:63(19) 页码:4149-4155]
  
  87-89-8 = 87-89-8
  反应条件:1.1R:R:Naoh,S:H2O,Ph 12.0
  标题:Synthesis,Characterization And Biological Activity Of Oxovanadium(Iv) Complexes With Cyclic Polyalcohols
  作者:By Etcheverry,Susana B. Et Al
  参考文献:Journal Of Inorganic Biochemistry 日期:2005 卷标:99(12) 页码:2322-2327]
  
  3615-82-5 = 87-89-8
  反应条件:1.1 Reagents: (+/-)-Propylene Glycol Solvents: Water
  标题:Preparation Of Inositol By Decomposition Of Phytin Under Atmospheric Pressure.
  参考文献:China]
  
  98510-20-4 = 87-89-8
  反应条件:1.1 Catalysts: Palladium Dihydroxide Solvents: Methanol; 32 H,Reflux
  标题:Hydroxyl Group Deprotection Reactions With Pd(Oh)2/c: A Convenient Alternative To Hydrogenolysis Of Benzyl Ethers And Acid Hydrolysis Of Ketals
  作者:Murali,Chebrolu; Et Al
  参考文献:Tetrahedron 日期:2007 卷标:63(19) 页码:4149-4155

海关参考信息

• 2905122000-异丙醇
  2905310000-1,2-乙二醇
  2905320000-1,2-丙二醇
  2905399001-1,3-丙二醇
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管