CAS: 89-56-5; 5-Methylsalicylic Acid

• 英文名称5-Methylsalicylic Acid
• 中文名称5-甲基水杨酸
• IUPAC名称2-hydroxy-5-methylbenzoic acid
• 其它别名对甲基水杨酸; 5甲基水杨酸; P-Cresotic Acid
• CAS编号89-56-5
• MFCD编号:MFCD00002461
• EINECS号:201-918-6
• FDA UNII编号:6GAI2MTV5V
• 分子式:C8H8O3
• 分子量:152.15
• 产品CID: 1917392
• 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: DLGBEGBHXSAQOC-UHFFFAOYSA-N
• InChI=1S/C8H8O3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)…
• 计算化学: 氢键受体数2.0氢键供体数2.0可旋转键数1.0

物理性质

• 熔点150-154°C
• 沸点234.6 °C at 760 mmHg
• 闪点149.3±20.5 °C
• 密度1.3±0.1 g/cm3
• pKa:pK1:4.08 (25°C)
• PSA:57.53
• LogP:1.39882
• 折射率1.600
• 蒸汽压0.0±0.7 mmHg at 25°C
• 溶解性21.9G/l(100 °c)
• 外观形态白色至米色粉末
• 储存条件密封, 常温干燥保存
• 产品应用该化合物用于现场产生O-硫酸盐共聚物,并通过超性能液相色谱学-飞行时间质谱测量法进行分析.
• 性质描述该品为白色结晶.熔点151-155°C.

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
  严重眼刺激 类别2A
• 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.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
• UN编号NONH for all modes of transport
• 危险品标志Xn,Xi
• 安全声明26-36/39-22-36
• 危险类别码22-37/38-41-36/37/38
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 89-55-4 + 37035-55-5 = 89-56-5
  反应条件:1.1 Catalysts: Dichlorobis(Triphenylphosphine)Palladium Solvents: Benzene1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Palladium-Catalyzed Cross-Methylation Of Haloarenes Possessing Active Hydrogen Atoms By Intramolecularly Stabilized Dimethylindium And Dimethylaluminum Reagents
  作者:Jaber,Nimer; Gelman,Dmitri; Schumann,Herbert; Dechert,Sebastian; Blum,Jochanan
  参考文献:European Journal Of Organic Chemistry 日期:2002 卷标:(10) 页码:1628-1633]
  
  99-04-7 = 89-56-5
  反应条件:1.1 Reagents: Hydrogen Peroxide Catalysts: Iron(2+),Bis(Acetonitrile)[rel-[n1(R),N2(R)]-N1,N2-Dimethyl-N1,N2-Bis[(2-Pyridi... Solvents: Acetonitrile,Water; Rt
  标题:Iron-Promoted Ortho- And/or Ipso-Hydroxylation Of Benzoic Acids With H2O2
  作者:Makhlynets,Olga V.; Das,Parthapratim; Taktak,Sonia; Flook,Margaret; Mas-Balleste,Ruben; Et Al
  参考文献:Chemistry - A European Journal 日期:2009 卷标:15(47) 页码:13171-13180]
  
  6342-60-5 = 89-56-5
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Pyridine,Copper Solvents: Water
  标题:Synthesis Of Salicylic Acid Derivatives From The Corresponding 2-Chlorobenzoic Acid Using Water As Solvent
  作者:Comdom,Rolando F. Pellon; Palacios,Maite L. Docampo
  参考文献:Synthetic Communications 日期:2002 卷标:32(13) 页码:2055-2059]
  
  1121-70-6 = 89-56-5 [标题:Reaction Conditions
  标题:Synthesis Of 5-Methyl-2-Hydroxybenzoic Acid Using The Kolbe-Schmitt Reaction
  作者:Shakirov,L. G.; Zobov,P. M.; Bikkulov,A. Z.
  参考文献:Zhurnal Prikladnoi Khimii (Sankt-Peterburg 日期:1983 卷标:56(11) 页码:2644-7]
  
  = 89-56-5
  反应条件:1.1 Reagents: Potassium Hydroxide
  标题:Reactions With 2-Methylchromones
  作者:Hamed,Ashraf A.; Madkour,Hassan M. F.; Nuaimi,Ibrahim S. Al.; Hussain,Badria A.
  参考文献:Anales De Quimica 日期:1994 卷标:90(5-6) 页码:359-64]
  
  99-04-7 = 89-56-5
  反应条件:1.1 Reagents: Quinone,Potassium Acetate,Oxygen Catalysts: Palladium Diacetate Solvents: Dimethylacetamide; 15 H,115 °C; 115 °C -> Rt
  标题:Pd(Ii)-Catalyzed Hydroxylation Of Arenes With 1 Atm Of O2 Or Air
  作者:Zhang,Yang-Hui; Yu,Jin-Quan
  参考文献:Journal Of The American Chemical Society 日期:2009 卷标:131(41) 页码:14654-14655]
  
  17201-44-4 = 89-56-5
  反应条件:1.1 Solvents: 4-Chlorophenol; 9 Min
  标题:Carboxylation Of Phenol And Its Derivatives With Sodiumethylcarbonate Under Microwave Irradiation
  作者:Yessenzhanova,N. R.; Burashev,G. B.; Kudaibergenov,N. Zh.; Suerbaev,Kh. A.
  参考文献:Izvestiya Natsional'Noi Akademii Nauk Respubliki Kazakhstan 日期:2016 卷标:(3) 页码:196-201]
  
  = 89-56-5
  反应条件:1.1 Catalysts: Potassium Carbonate; 5 H,8 Mpa,473 K; Cooled
  标题:K2Co3-Catalyzed Direct Synthesis Of Salicylic Acid From Phenol And Supercritical Co2
  作者:Iijima,Takayuki; Yamaguchi,Tatsuaki
  参考文献:Applied Catalysis 日期:2008 卷标:345(1) 页码:12-17]
  
  55270-73-0 = 89-56-5
  反应条件:1.1 Reagents: Ammonia,Potassium Amide
  标题:Cleavage Of Halobenzophenones By Potassamide In Ammonia. New Routes To Xanthen- And Thioxanthen-9-Ones
  作者:Gibson,Martin S.; Vines,S. Martin; Walthew,John W.
  参考文献:Journal Of The Chemical Society 日期:1975 卷标:(2) 页码:155-60]
  
  = 89-56-5
  反应条件:1.1 Reagents: 2,2,2-Trifluoroethanol,Silver Acetate Catalysts: Palladium Diacetate,Boc-L-Leucine Solvents: 1,2-Dichloroethane; 5 Min,95 °C; 18 H,95 °C1.2 Reagents: Tetrabutylammonium Fluoride Solvents: Tetrahydrofuran; 30 Min,Rt
  标题:General Method For The Synthesis Of Salicylic Acids From Phenols Through Palladium-Catalyzed Silanol-Directed C-H Carboxylation
  作者:Wang,Yang; Gevorgyan,Vladimir
  参考文献:Angewandte Chemie 日期:2015 卷标:54(7) 页码:2255-2259]
  
  17201-44-4 = 89-56-5
  反应条件:1.1 Reagents: Carbon Dioxide; 4 H,10 Atm,Rt -> 185 °C; 3 H,10 Atm,185 °C; 185 °C -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Acidified,Rt
  标题:Synthesis Of Cresotic Acids By Carboxylation Of Cresols With Sodium Ethyl Carbonate
  作者:Suerbaev,Kh. A.; Chepaikin,E. G.; Kudaibergenov,N. Zh.; Zhaksylykova,G. Zh.
  参考文献:Petroleum Chemistry 日期:2016 卷标:56(7) 页码:646-650]
  
  99-04-7 = 89-56-5
  反应条件:1.1 Reagents: Dipotassium Phosphate Catalysts: Palladium Diacetate,1,6-Dihydro-α,α-Dimethyl-6-Oxo-2-Pyridineacetic Acid Solvents: Acetonitrile; 10 Min,25 °C1.2 Reagents: Hydrogen Peroxide Solvents: Water; 24 H,25 °C1.3 Reagents: Sodium Sulfite Solvents: Water; 25 °C1.4 Reagents: Formic Acid Solvents: Methanol; Acidified,25 °C
  标题:Ligand-Enabled C-H Hydroxylation With Aqueous H2O2 At Room Temperature
  作者:Li,Zhen; Park,Han Seul; Qiao,Jennifer X.; Yeung,Kap-Sun; Yu,Jin-Quan
  参考文献:Journal Of The American Chemical Society 日期:2022 卷标:144(39) 页码:18109-18116]
  
  99-04-7 = 89-56-5
  反应条件:1.1 Reagents: Tert-Butyl Hydroperoxide,Quinone,Potassium Acetate Catalysts: N-Acetyl-L-Isoleucine,Palladium Diacetate Solvents: 1,2-Dimethoxyethane,Water; 100 °C
  标题:Palladium-Catalyzed Ortho-C-H Hydroxylation Of Benzoic Acids
  作者:Luo,Feihua; He,Shuhua; Gou,Quan; Chen,Jinyang; Zhang,Mingzhong
  参考文献:Tetrahedron Letters 日期:2021 卷标:84]
  
  = 89-56-5
  反应条件:1.1 Reagents: 2,4,6-Trimethylphenol,Sodium Hydride; 5 Min,100 °C; 100 °C -> Rt1.2 2 H,1 Atm,185 °C; 185 °C -> Rt1.3 Solvents: Water; Rt1.4 Reagents: Hydrochloric Acid Solvents: Water; Ph 4,Rt
  标题:Carboxylation Of Phenols With Co2 At Atmospheric Pressure
  作者:Luo,Junfei; Preciado,Sara; Xie,Pan; Larrosa,Igor
  参考文献:Chemistry - A European Journal 日期:2016 卷标:22(20) 页码:6798-6802]
  
  89807-39-6 = 89-56-5
  反应条件:1.1 Reagents: Sulfuryl Chloride
  标题:Novel Synthesis Of Aromatic Carboxylic Acids From Enaminones
  作者:Loewe,Werner; Braden,Thomas
  参考文献:Archiv Der Pharmazie (Weinheim 日期:1995 卷标:328(3) 页码:283-5]
  
  471242-48-5 = 89-56-5
  反应条件:1.1 Reagents: Poly(4-Vinylpyridine) Solvents: Toluene; 300 S,120 °C; 120 °C -> Rt1.2 Reagents: Sodium Hydroxide Solvents: Ethanol,Water; 900 S,120 °C; 120 °C -> Rt1.3 Reagents: Amberlyst 15 Solvents: Ethanol; Overnight,Rt
  标题:Preparation Of Arene Carboxylic Acids Via A Polymer-Supported Krohnke Reaction
  作者:Brusotti,Gloria; Habermann,Joerg; Azzolina,Ornella; Collina,Simona
  参考文献:Letters In Organic Chemistry 日期:2006 卷标:3(12) 页码:943-947]
  
  17201-44-4 = 89-56-5
  反应条件:1.1 5 Min,Heated
  标题:Carboxylation Of Phenol,P-Cresol And P-Chlorophenol With Sodium Ethyl Carbonate Under Microwave Irradiation
  作者:Nabiev,A. M.; Dzhanzakova,B.; Zhumagazi,S. A.; Kudaibergenov,N. Zh.; Suerbaev,Kh. A.
  参考文献:Izvestiya Natsional'Noi Akademii Nauk Respubliki Kazakhstan 日期:2015 卷标:(4) 页码:24-30]
  
  = 89-56-5
  反应条件:1.1 Reagents: Sodium Hydroxide,Copper Solvents: Water1.2 -
  标题:Reimer-Tiemann Reaction Using Carbon Tetrachloride
  作者:Gaonkar,A. V.; Kirtany,J. K.
  参考文献:Indian Journal Of Chemistry 日期:1991 卷标:(8) 页码:800-1

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  2912110000-甲醛
  2912210000-苯甲醛
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