CAS: 95-71-6; 2-Methylhydroquinone

• 英文名称2-Methylhydroquinone
• 中文名称甲基氢醌
• IUPAC名称2-methylbenzene-1,4-diol
• 其它别名2,5-Dihydroxytoluene; 2-Methyl-1,4-benzenediol; Toluhydroquinone; THQ
• CAS编号95-71-6
• MFCD编号:MFCD00002345
• EINECS号:202-443-7
• FDA UNII编号:332W51E0OC
• 分子式:C7H8O2
• 分子量:124.14
• 产品CID: 2011506
• 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
• 产品信息参考;
• InChIKey: CNHDIAIOKMXOLK-UHFFFAOYSA-N
• InChI=1S/C7H8O2/c1-5-4-6(8)2-3-7(5)9/h2-4,8-9H,1H3…
• 计算化学: 氢键受体数2.0氢键供体数2可旋转键数0

物理性质

• 熔点128-130°C
• 沸点285 °C at 760 mmHg
• 闪点172°C
• 密度1.2±0.1 g/cm3
• pKa:pK1:10.03;pK2:11.62 (25°C)
• PSA:40.46
• LogP:1.40622
• 折射率1.595
• 蒸汽压0.0±0.6 mmHg at 25°C
• 溶解性77G/l
• 敏感性1. 避免与强氧化剂接触。2. 存在于烟气中。3. 有毒性！
• 外观形态灰白色至浅米色结晶粉末
• 储存条件存储低于 +30°C.
• 产品应用主要用于颜料,染料,医药中间体.
• 性质描述该品为白色晶体.熔点117-118°C.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS05 & GHS09;
  注释: Exclamation mark & Corrosion & Environment
• 危险类别特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀 类别1A
  严重眼损伤 类别1
  皮肤致敏 类别1
  水生急性毒性 类别1
  水生慢性毒性 类别1
  致癌性 类别2
  致突变性 类别2
  急性毒性 类别4(经口)
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  急性毒性 类别4(经皮)
  皮肤腐蚀 类别1
  皮肤腐蚀 类别1B
  急性毒性 类别3(经口)
  急性毒性 类别4(吸入)
• 警示词Danger(危险)
• 危险描述H335 |可能引起呼吸道刺激.
  H314 |造成严重皮肤灼伤和眼损伤.
  H318 |造成严重眼损伤.
  H317 |可能引起皮肤过敏反应.
  H400 |对水生生物毒性极大.
  H410 |对水生生物毒性极大并具有长期持续影响.
  H351 |怀疑致癌.
  H341 |怀疑导致遗传缺陷.
  H302 |吞咽有害.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H312 |皮肤接触有害.
  H301 |吞咽会中毒.
  H332 |吸入有害.
• 防范说明P260-P264-P270-P273-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P330-P363-P391-P405-P501
• 危险等级6.1
• UN编号2811.0
• 危险品标志Xi,Xn
• 包装等级Ⅲ
• 安全声明26-36
• 危险类别码36/37/38-22
• WGK Germany2

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 2-Methylhydroquinone 主要起始原料 M-Cresol
• 553-97-9 = 95-71-6
  反应条件:1.1 Catalysts: Palladium (Diphenyl-2-Pyridylphosphine Complex,Porous Organic Polymer Supported),Pyridine,2-[bis(4-Ethenylphenyl)Phosphino]-,Homopolymer (Palladium Complex) Solvents: Dimethylacetamide; Rt -> 140 °C; 12 H,1 Atm,140 °C
  标题:Pd0-Pypph2@porous Organic Polymer: Efficient Heterogeneous Nanoparticle Catalyst For Dehydrogenation Of 3-Methyl-2-Cyclohexen-1-One Without Extra Oxidants And Hydrogen Acceptors
  作者:Chen,Xingkun; Wang,Wenlong; Zhu,Hejun; Yang,Wenshao; Ding,Yunjie
  参考文献:Molecular Catalysis 日期:2018 卷标:456 页码:49-56]
  
  553-97-9 = 95-71-6
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethyl Acetate
  标题:Synthesis Of (+/-)-6-Hydroxy-3,4-Dihydro-4,7-Dimethylbenzo-1-Pyran-2(H)-One,A Tetranorsesquiterpenoid
  作者:Nadkarni,K. K.; Kamat,S. P.; Paknikar,S. K.
  参考文献:Indian Journal Of Chemistry 日期:1994 卷标:(5) 页码:432-5]
  
  553-97-9 = 95-71-6
  反应条件:1.1 Reagents: Chlorotrimethylsilane,1,1,3,3-Tetramethyldisiloxane,Sodium Iodide Solvents: Dichloromethane
  标题:Ionic And Organometallic-Catalyzed Organosilane Reductions
  作者:Larson,Gerald L.; Fry,James L.
  参考文献:Organic Reactions (Hoboken 日期:2008 卷标:71 页码:1-737]
  
  553-97-9 = 95-71-6
  反应条件:1.1 Reagents: Chlorotrimethylsilane,1,1,3,3-Tetramethyldisiloxane,Sodium Iodide Solvents: Acetonitrile,Dichloromethane
  标题:Reagents And Synthetic Methods. 57. Reduction Of Carbonyl Compounds Promoted By Silicon Hydrides Under The Influence Of Trimethylsilyl-Based Reagents
  作者:Aizpurua,Jesus M.; Lecea,Begona; Palomo,Claudio
  参考文献:Canadian Journal Of Chemistry 日期:1986 卷标:64(12) 页码:2342-7]
  
  553-97-9 = 95-71-6
  反应条件:1.1 Reagents: 1-Methyl-1,4-Cyclohexadiene Catalysts: Trifluoroacetic Acid Solvents: Toluene; 2 H,30 °C
  标题:1-Methyl-1,4-Cyclohexadiene As A Traceless Reducing Agent For The Synthesis Of Catechols And Hydroquinones
  作者:Baschieri,Andrea; Amorati,Riccardo; Valgimigli,Luca; Sambri,Letizia
  参考文献:Journal Of Organic Chemistry 日期:2019 卷标:84(21) 页码:13655-13664]
  
  553-97-9 = 95-71-6
  反应条件:1.1 Reagents: Sodium Azide Solvents: Acetone,Water; 5 - 12 H,Rt
  标题:Simple,Mild,And Efficient Method For The Reduction Of 1,4-Benzoquinones To Hydroquinones By The Action Of Nan3
  作者:Algi,Fatih; Balci,Metin
  参考文献:Synthetic Communications 日期:2006 卷标:36(16) 页码:2293-2297]
  
  490-79-9 = 95-71-6
  反应条件:1.1 Reagents: Triethylamine,Ethyl Chloroformate Solvents: Tetrahydrofuran; 0 °C; 3 H,0 °C1.2 Reagents: Sodium Borohydride Solvents: Tetrahydrofuran,Water; 0 °C; 3 H,Rt; 0 °C -> Rt; 1 H,Rt1.3 Reagents: Hydrochloric Acid Solvents: Tetrahydrofuran,Water; Neutralized,Rt
  标题:An Easy Two-Step Reduction Of Salicylic Acids And Alcohols To 2-Methylphenols
  作者:Mazzini,Francesco; Salvadori,Piero
  参考文献:Synthesis 日期:2005 卷标:(15) 页码:2479-2481]
  
  637-88-7 = 95-71-6
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Ethanol,Water; Reflux; 1 H,Reflux; 3 H,Reflux1.2 Reagents: Hydrochloric Acid Solvents: Water; Neutralized,Reflux
  标题:Green,Lithium Salt-Free Synthesis Of 2-Alkylated 1,4-Benzenediols In Hydroalcoholic Media
  作者:Peixoto De Abreu Lima,Alejandro; Graziano,Natali; Pandolfi,Enrique
  参考文献:Green Chemistry Letters And Reviews 日期:2016 卷标:9(4) 页码:210-215]
  
  50848-60-7 = 95-71-6
  反应条件:1.1 Reagents: Butyllithium,N,N,N′,N′-Tetramethylethylenediamine
  标题:The Generation Of C,O,O-Trilithiated Derivatives Of Dihydric Phenols
  作者:Saa,Jose M.; Morey,Jeroni; Suner,Guillem; Frontera,Antoni; Costa,Antoni
  参考文献:Tetrahedron Letters 日期:1991 卷标:32(49) 页码:7313-16]
  
  = 95-71-6
  反应条件:1.1 Reagents: Acetic Acid,N-Methyl-2-Pyrrolidone,Oxygen Catalysts: Cuprate(1-),Trichloro-,Lithium,Dihydrate Solvents: Methyl Isobutyl Ketone,Water; 24 H,700 Kpa,50 °C1.2 Reagents: Hydrogen Catalysts: Nickel Solvents: Water; 5.5 H,630 Kpa,80 °C
  标题:Processes For Production Of Benzoquinones By Oxidation Of Aromatic Hydroxy Compounds Over Copper Catalyst Followed By Reduction To Hydroquinones
  参考文献:United States]
  
  553-97-9 = 95-71-6
  反应条件:1.1 Reagents: Sodium Bisulfite
  标题:Synthesis Of 4,7-Dimethoxyindoles Bearing Substituents At The C-5 And C-6 Positions And Studies On Their Demethylation Products
  作者:Malesani,Giorgio; Galiano,Fabio; Ferlin,Maria Grazia; Masiero,Sergio
  参考文献:Journal Of Heterocyclic Chemistry 日期:1980 卷标:17(3) 页码:563-9]
  
  23438-23-5 = 95-71-6
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Ethanol
  标题:Action Of Dilute Sulfuric Acid On Phenyl- And P-Tolylhydroxylamine (In The Presence And Absence Of Phenol)
  作者:Bamberger,Eug.
  参考文献:Annalen Der Chemie 日期:1912 卷标:390 页码:131-90]
  
  553-97-9 = 95-71-6
  反应条件:1.1 Reagents: Ammonium Formate Catalysts: Palladium Solvents: Methanol; 5 Min,Reflux
  标题:An Efficient Reduction Of Quinones By Formate-Palladium/carbon System
  作者:Pande,Poorn Prakash
  参考文献:Asian Journal Of Chemistry 日期:2010 卷标:22(4) 页码:2549-2553]
  
  = 95-71-6
  反应条件:1.1 Reagents: Sodium Hydroxide,Sodium Persulfate Solvents: Water
  标题:Supported Metalated Phthalocyanine As Catalyst For Oxidation By Molecular Oxygen. Synthesis Of Quinones And Carbonyl Compounds
  作者:Villemin,Didier; Hammadi,Mohamed; Hachemi,Messaoud
  参考文献:Synthetic Communications 日期:2002 卷标:32(10) 页码:1501-1515]
  
  = 95-71-6
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Water
  标题:Synthesis Of Methylhydroquinone
  作者:Zhang,Li-Yang; Jiang,Deng-Gao; Zhou,Cai-Rong; Liu,Qi-Yu; Jiang,Xue-Gen
  参考文献:Jingxi Huagong 日期:2000 卷标:17(12) 页码:735-737]
  
  = 95-71-6
  反应条件:1.1 Reagents: Sulfuric Acid Catalysts: Aluminum Solvents: Water; Rt -> 86 °C; 30 Min,86 °C; 60 Min,86 °C; 86 °C -> 25 °C
  标题:Synthesis Process For 2-Methyl-1,4-Dihydroxybenzene
  作者:Sun,Xiaobo; Jiang,Denggao; Liu,Guoji; Ren,Ke
  参考文献:Huagong Shikan 日期:2005 卷标:19(10) 页码:24-26]
  
  = 95-71-6
  反应条件:1.1 Reagents: Sulfuric Acid,Hydrogen Peroxide Solvents: Water; 6 H,Rt1.2 Reagents: Sodium Carbonate Solvents: Water; Neutralized,Rt
  标题:Selective Electro-Oxidation Of Phenol To 1,4-Hydroquinone Employing Carbonaceous Electrodes: Surface Modification Is The Key
  作者:Baravkar,Mayur D.; Prasad,Bhagavatula L. V.
  参考文献:New Journal Of Chemistry 日期:2022 卷标:46(5) 页码:2518-2525]
  
  = 95-71-6
  反应条件:1.1 Reagents: Hydrogen Peroxide Catalysts: Benzyltriethylammonium Chloride,Titanium Superoxide (Ti(O2)2) Solvents: Water; Rt -> 60 °C; 50 - 60 °C; 1 H,50 - 60 °C; 60 °C -> Rt1.2 Reagents: Hydrogen Catalysts: Nickel; > 10 H,0.6 Mpa,100 °C; 5 Min,Reflux
  标题:Method For Preparation Of 2-Methylhydroquinone
  参考文献:China]
  
  = 95-71-6
  反应条件:1.1 Reagents: Sodium Dodecyl Sulfate,Ceric Ammonium Nitrate Solvents: Acetic Acid,Water1.2 Reagents: Hydrogen Peroxide Solvents: Acetic Acid,Water
  标题:Hydroxylation Of Alkylphenols By Cerium(Iv) In Conjunction With Hydrogen Peroxide And Sodium Dodecyl Sulfate
  作者:Chawla,H. Mohindra; Sharma,S. Kumar; Chakrabarty,K.; Bhanumati,S.
  参考文献:Journal Of The Chemical Society 日期:1988 卷标:(2) 页码:128-9]
  
  = 95-71-6
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Water; 30 Min,86 °C; 1 H,86 °C
  标题:Improvement Of The Synthesis Process Of Methyhydroquinone
  作者:Sun,Xiaobo; Jiang,Denggao; Wang,Xunqiu; Zhou,Cairong; Ren,Ke
  参考文献:Henan Huagong 日期:2003 卷标:(2) 页码:15-16

海关参考信息

• 2902300000-甲苯
  2907121100-间甲酚
  2908199090-其他酚的卤化衍生物
  2908999090-其他酚的硝化衍生物
• 💡 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

专利信息

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• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
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