CAS: 93-14-1; 3-(2-Methoxyphenoxy)Propane-1,2-Diol

• ⚠️《化妆品禁用原料目录》
• 英文名称3-(2-Methoxyphenoxy)Propane-1,2-Diol
• 中文名称愈创甘油醚
• IUPAC名称3-(2-methoxyphenoxy)propane-1,2-diol
• 其它别名愈创甘油醚; 愈创木酚甘油醚; 甲甘苯二醚; 愈甘醚; 甘油愈创木酯; Guaiacol Glyceryl Ether; Guaiphenesin; Glycerol Guaiacolate
• CAS编号93-14-1
• MFCD编号:MFCD00016873
• EINECS号:202-222-5
• FDA UNII编号:495W7451VQ
• 分子式:C10H14O4
• 分子量:198.22
• 产品CID: 1970098
• 产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

• 相似结构搜索
• InChIKey: HSRJKNPTNIJEKV-UHFFFAOYNA-N
• InChI=1/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3…
• 计算化学: 氢键受体数4.0氢键供体数2.0可旋转键数5.0

物理性质

• 熔点77-81°C
• 沸点215°C (19 mmHg)
• 闪点169.6°C
• 密度1.2±0.1 g/cm3
• pKa:13.53±0.20(预测)
• PSA:58.92
• LogP:0.4272
• 折射率1.538
• 蒸汽压0.0±0.8 mmHg at 25°C
• 溶解性50G/l (Experimental)
• 外观形态白色至类白色固体
• 储存条件2-8°C
• 产品应用该化合物用于帮助急性呼吸道感染从空气中移除血腿.GUAFENESSIN以片状和胶囊形式出现,作为糖浆,作为溶解颗粒,最近作为长释放(长效)片.平板,胶囊,溶解粒和糖浆通常每4小时取一次食物,或不取一次食品.延长释放片通常每12小时取出或不取一次粮食.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别急性毒性 类别4(经口)
  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2
  生殖毒性 类别2
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
  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.
  H361 |怀疑对生育能力或胎儿造成损害.
• 防范说明P264-P270-P330-P501
• UN编号NONH for all modes of transport
• 危险品标志Xn
• 风险等级Harmful
• 安全声明26-36
• 危险类别码22-36/37/38
• WGK Germany1

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 Guaifenesin 主要起始原料 Glycidol And Guaiacol
• 556-52-5 + 90-05-1 = 93-14-1
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Acetonitrile; 12 H,65 - 70 °C
  标题:Chemoenzymatic Route For The Synthesis Of (S)-Moprolol,A Potential β-Blocker
  作者:Ghosh,Saptarshi; Bhaumik,Jayeeta; Banoth,Linga; Banesh,Sooram; Banerjee,Uttam Chand
  参考文献:Chirality 日期:2016 卷标:28(4) 页码:313-318]
  
  90-05-1 = 93-14-1
  反应条件:1.1 Reagents: Sodium Solvents: Ethanol; Rt1.2 Rt; 30 Min,Rt1.3 Rt; 4 H,Reflux; Overnight,Rt
  标题:N-Acyl-2-Substituted-1,3-Thiazolidines,A New Class Of Non-Narcotic Antitussive Agents: Studies Leading To The Discovery Of Ethyl 2-[(2-Methoxyphenoxy)Methyl]-β-Oxothiazolidine-3-Propanoate
  作者:Gandolfi,Carmelo A.; Di Domenico,Roberto; Spinelli,Silvano; Gallico,Licia; Fiocchi,Luigi; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:1995 卷标:38(3) 页码:508-25]
  
  90-05-1 + 56-81-5 = 93-14-1
  反应条件:1.1 Reagents: Diethyl Carbonate Catalysts: Potassium Carbonate; Rt; Rt -> 110 °C; 8 H,105 - 110 °C
  标题:One-Pot Synthesis Of Aryloxypropanediols From Glycerol: Towards Valuable Chemicals From Renewable Sources
  作者:Truscello,Ada M.; Gambarotti,Cristian; Lauria,Mirvana; Auricchio,Sergio; Leonardi,Gabriella; Et Al
  参考文献:Green Chemistry 日期:2013 卷标:15(3) 页码:625-628]
  
  90-05-1 = 93-14-1
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Dimethylformamide; 15 Min,210 °C
  标题:Guaifenesin Derivatives Promote Neurite Outgrowth And Protect Diabetic Mice From Neuropathy
  作者:Hadimani,Mallinath B.; Purohit,Meena K.; Vanampally,Chandrashaker; Van Der Ploeg,Randy; Arballo,Victor; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2013 卷标:56(12) 页码:5071-5078]
  
  556-52-5 + 90-05-1 = 93-14-1
  反应条件:1.1 Reagents: Potassium Carbonate,Tetrabutylammonium Bromide Catalysts: Palladium Chloride Solvents: Water; 15 Min,60 °C1.2 5 H,60 °C
  标题:A Green Process For Synthesis Of β-Hydroxy Aryl Ethers In Presence Of Transition Metal Nanoparticles
  参考文献:India]
  
  90-05-1 = 93-14-1
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water; 30 Min,Reflux1.2 Solvents: Ethanol; 30 Min,Reflux; 8 H,Reflux
  标题:Solid State Properties And Effective Resolution Procedure For Guaifenesin,3-(2-Methoxyphenoxy)-1,2-Propanediol
  作者:Bredikhina,Zemfira A.; Novikova,Victorina G.; Zakharychev,Dmitry V.; Bredikhin,Alexander A.
  参考文献:Tetrahedron: Asymmetry 日期:2006 卷标:17(21) 页码:3015-3020]
  
  90-05-1 + 931-40-8 = 93-14-1 [标题:Reaction Conditions
  标题:Glycerol Carbonate As A Versatile Alkylating Agent For The Synthesis Of β-Aryloxy Alcohols
  作者:Galletti,Gabriele; Prete,Prisco; Vanzini,Simone; Cucciniello,Raffaele; Fasolini,Andrea; Et Al
  参考文献:Acs Sustainable Chemistry & Engineering 日期:2022 卷标:10(33) 页码:10921-10932]
  
  556-52-5 + 90-05-1 = 93-14-1
  反应条件:1.1 Catalysts: Potassium Hydroxide Solvents: Methanol; 338 K1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Glycerol As A Source Of Designer Solvents: Physicochemical Properties Of Low Melting Mixtures Containing Glycerol Ethers And Ammonium Salts
  作者:Leal-Duaso,Alejandro; Perez,Pascual; Mayoral,Jose A.; Pires,Elisabet; Garcia,Jose I.
  参考文献:Physical Chemistry Chemical Physics 日期:2017 卷标:19(41) 页码:28302-28312]
  
  = 93-14-1
  反应条件:1.1 Catalysts: Carbon Solvents: 1,4-Dioxane; 4 H,80 °C
  标题:An Eco-Friendly And Switchable Carbon-Based Catalyst For Protection-Deprotection Of Vicinal Diols
  作者:Roman,Inmaculada; Pardo-Botello,Rosario; Duran-Valle,Carlos J.; Cintas,Pedro; Fernando Martinez,R.
  参考文献:Chemcatchem 日期:2023 卷标:15(12)]
  
  90-05-1 = 93-14-1
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Ethanol1.2 15 Min,Heated
  标题:Racemic Guaifenesin Preparation By In Vivo Williamson Ether Synthesis And Ftir,Nmr,Hplc And Gcms Spectral Analysis
  作者:Suresh,Kumarasamy; Selvaraj,Vasuki; Mathiyazhagan,Narayanan; Muthusamy,Ranganathan
  参考文献:Research Journal Of Chemistry And Environment 日期:2021 卷标:25(8) 页码:23-27]
  
  = 93-14-1
  反应条件:1.1 Reagents: Cesium Carbonate,Cesium Formate Catalysts: Butanethiol,3,5-Bis(1,1-Dimethylethyl)[1,1′-Biphenyl]-4-Ol Solvents: Dimethylformamide; 10 H,Rt
  标题:Deprotection Of Benzyl-Derived Groups Via Photochemically Mesolytic Cleavage Of C-N And C-O Bonds
  作者:Liang,Kangjiang; Li,Xipan; Wei,Delian; Jin,Cuihua; Liu,Chuanwang; Et Al
  参考文献:Chem 日期:2023 卷标:9(2) 页码:511-522]
  
  2210-74-4 = 93-14-1
  反应条件:1.1 Reagents: Perchloric Acid
  标题:Lariat Ethers. Synthesis And Cation Binding Of Macrocyclic Polyethers Possessing Axially Disposed Secondary Donor Groups
  作者:Gokel,George W.; Dishong,Dennis M.; Diamond,Craig J.
  参考文献:Journal Of The Chemical Society 日期:1980 卷标:(22) 页码:1053-4]
  
  90-05-1 + 100-79-8 = 93-14-1
  反应条件:1.1 Reagents: Triphenylphosphine,Diisopropyl Azodicarboxylate Solvents: Tetrahydrofuran; Rt; Rt -> 60 °C; 12 H,60 °C1.2 Reagents: Hydrochloric Acid; 4 H,80 °C; Cooled1.3 Reagents: Sodium Hydroxide Solvents: Water; Ph 7,Cooled
  标题:New Method For Synthesis Of Guaiacol Glyceryl Ether From Isopropylidene Glycerol And Guaiacol
  参考文献:China]
  
  2210-74-4 = 93-14-1
  反应条件:1.1 Reagents: Perchloric Acid
  标题:Crown Cation Complex Effects. 20. Syntheses And Cation Binding Properties Of Carbon-Pivot Lariat Ethers
  作者:Dishong,Dennis M.; Diamond,Craig J.; Cinoman,Michael I.; Gokel,George W.
  参考文献:Journal Of The American Chemical Society 日期:1983 卷标:105(3) 页码:586-93]
  
  90-05-1 + 616-30-8 = 93-14-1
  反应条件:1.1 Reagents: Potassium Chloride,Sodium Sulfite Solvents: Water; 3 H,Rt -> 50 °C1.2 50 °C; 5 H,50 °C -> 90 °C; 25 H,90 °C -> 15 °C1.3 Reagents: Oxalic Acid,Sodium Bromide Solvents: Water; Ph 7
  标题:Method For Synthesizing 3-(O-Methoxyphenoxy)-1,2-Propylene Glycol As Drug Intermediate Of Guaifenesin
  参考文献:China]
  
  4125-43-3 = 93-14-1
  反应条件:1.1 Reagents: Ozone Solvents: Diethyl Ether; -116 °C1.2 Reagents: Bromo(1-Methylethyl)Magnesium Solvents: Diethyl Ether; 20 Min,-116 °C1.3 Reagents: Ammonium Chloride Solvents: Water; -116 °C1.4 Reagents: Dimethyl Sulfide; -116 °C -> Rt
  标题:Capturing Primary Ozonides For A Syn-Dihydroxylation Of Olefins
  作者:Arriaga,Danniel K.; Thomas,Andy A.
  参考文献:Nature Chemistry 日期:2023 卷标:15(9) 页码:1262-1266]
  
  2210-74-4 = 93-14-1
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Water; 2 H,70 °C
  标题:Synthesis Of Ranolazine Metabolites And Their Anti-Myocardial Ischemia Activities
  作者:Yao,Zhangyu; Gong,Shubo; Guan,Teng; Li,Yunman; Wu,Xiaoming; Et Al
  参考文献:Chemical & Pharmaceutical Bulletin 日期:2009 卷标:57(11) 页码:1218-1222]
  
  90-05-1 = 93-14-1 + 2210-74-4 + 16929-60-5 + 25772-81-0
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 30 - 45 Min,30 °C1.2 10 - 12 H,25 - 35 °C1.3 Reagents: Sodium Hydroxide Solvents: Water; 5 - 6 H,27 °C
  标题:An Efficient Synthesis Of 1-(2-Methoxyphenoxy)-2,3-Epoxypropane: Key Intermediate Of β-Adrenoblockers
  作者:Madivada,Lokeswara Rao; Anumala,Raghupathi Reddy; Gilla,Goverdhan; Kagga,Mukkanti; Bandichhor,Rakeshwar
  参考文献:Organic Process Research & Development 日期:2012 卷标:16(10) 页码:1660-1664]
  
  556-52-5 + 90-05-1 = 93-14-1
  反应条件:1.1 Reagents: Potassium Carbonate,Tetrabutylammonium Bromide Catalysts: Palladium Chloride Solvents: Water; 15 Min,60 °C1.2 5 H,60 °C
  标题:Synergistic Dual Activation Catalysis By Palladium Nanoparticles For Epoxide Ring Opening With Phenols
  作者:Seth,Kapileswar; Roy,Sudipta Raha; Pipaliya,Bhavin V.; Chakraborti,Asit K.
  参考文献:Chemical Communications (Cambridge 日期:2013 卷标:49(52) 页码:5886-5888]
  
  90-05-1 = 93-14-1
  反应条件:1.1 Reagents: Sodium Hydroxide,Phosphoric Acid Solvents: Water; 2 H,102 °C; 30 Min,120 °C
  标题:An Efficient Process For The Production Of Guaifenesin
  参考文献:India

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

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