CAS: 89-95-2; 2-Methylbenzyl Alcohol

• 英文名称2-Methylbenzyl Alcohol
• 中文名称邻甲基苯甲醇
• IUPAC名称o-tolylmethanol
• 其它别名2-甲基苄醇; 2甲基苄醇; α-Hydroxy-O-Xylene; 2-Methylbenzyl Alcohol
• CAS编号89-95-2
• MFCD编号:MFCD00004622
• EINECS号:201-954-2
• FDA UNII编号:7L3M6Y04NC
• 分子式:C8H10O
• 分子量:122.16
• 产品CID: 1929796
• 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: XPNGNIFUDRPBFJ-UHFFFAOYSA-N
• InChI=1S/C8H10O/c1-7-4-2-3-5-8(7)6-9/h2-5,9H,6H2,1H3…
• 计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数1.0

物理性质

• 熔点33-36 °C
• 沸点218.4°C at 760 mmHg
• 闪点220 °F
• 密度1.08 g/cm3
• pKa:14.37±0.10(预测)
• PSA:20.23
• LogP:1.48732
• 折射率n20/D 1.5408(文献)
• 蒸汽压0.75 mm Hg ( 86 °C)
• 溶解性溶于甲醇,溶解度为0.1g/mL,澄清
• 外观形态白色固体
• 储存条件Store at room temperature
• 产品应用该化合物用于在温度为20°C时生产2-甲基苯甲二烯. 它需要反应时间为10分钟的苯丙烯酸激素试剂.
• 性质描述白色结晶体,熔点39°C,沸点109-110°C,闪点104°C

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS05;
  注释: Exclamation mark & Corrosion
• 危险类别急性毒性 类别4(经口)
  严重眼损伤 类别1
• 警示词Danger(危险)
• 危险描述H302 |吞咽有害.
  H318 |造成严重眼损伤.
• 防范说明P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501
• 危险等级8
• UN编号1759.0
• 危险品标志Xi:Irritant;
• 包装等级Ⅲ
• 安全声明S22-S24/25-S37/39-S26-S39
• 危险类别码R36/37/38
• WGK Germany3

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-Methylbenzyl Alcohol 主要起始原料 Formaldehyde And 2-Tolylboronic Acid
• 8068-05-1 = 89-95-2 + 589-18-4 + 90-05-1 + 1758-88-9 + 1195652-69-7 + 768-59-2 + 874-41-9 + 620-14-4 + 300-57-2 + 27831-13-6 + 100-51-6 + 4393-05-9 + 2785-87-7 + 2785-89-9
  反应条件:1.1 Catalysts: Alumina,Molybdenum Nitride (Mo2N) Solvents: Ethanol; 6 H,10.6 Mpa,553 K
  标题:Common Pathways In Ethanolysis Of Kraft Lignin To Platform Chemicals Over Molybdenum-Based Catalysts
  作者:Ma,Xiaolei; Et Al
  参考文献:Acs Catalysis 日期:2015 卷标:5(8) 页码:4803-4813]
  
  529-20-4 = 89-95-2
  反应条件:1.1 Reagents: Hydrogen Catalysts: Platinum,Gallium Sesquioxide Solvents: Isopropanol; 2 H,110 °C
  标题:A Dual-Site Functionally Separated Catalyst Based On Gallium Oxide And Pt For Effective Furfural Hydrogenation Under Hydrogen Spillover Conditions
  作者:Wang,Changxu; Wang,Shuai; Wu,Zhenshuai; Lv,Yipin; Chen,Guozhu; Et Al
  参考文献:Fuel 日期:2024 卷标:357]
  
  529-20-4 = 89-95-2
  反应条件:1.1 Reagents: Hantzsch Ester Catalysts: Tris[3,5-Bis(Trifluoromethyl)Phenyl]Borane Solvents: 1,4-Dioxane; 12 H,25 °C
  标题:Organoborane-Catalyzed Hydrogenation Of Unactivated Aldehydes With A Hantzsch Ester As A Synthetic Nad(P)H Analogue
  作者:Hamasaka,Go; Tsuji,Hiroaki; Uozumi,Yasuhiro
  参考文献:Synlett 日期:2015 卷标:26(14) 页码:2037-2041]
  
  529-20-4 = 89-95-2
  反应条件:1.1 Catalysts: Zirconium Tetrahydroxide (Partially Hydrated) Solvents: Isopropanol; 15 Min,60 °C
  标题:A Mild And Efficient Flow Procedure For The Transfer Hydrogenation Of Ketones And Aldehydes Using Hydrous Zirconia
  作者:Battilocchio,Claudio; Hawkins,Joel M.; Ley,Steven V.
  参考文献:Organic Letters 日期:2013 卷标:15(9) 页码:2278-2281]
  
  529-20-4 = 89-95-2
  反应条件:1.1 Solvents: Diethyl Ether; Rt -> 0 °C1.2 Reagents: Methanesulfonic Acid,Trifluoro-,Anhydride With B,B-Bis(2,6,6-Trimethylbicyclo[... Solvents: Diethyl Ether; 0.5 H,0 °C1.3 Reagents: Sodium Hydroxide Solvents: Water; 0 °C -> Rt1.4 Reagents: Hydrogen Peroxide Solvents: Water; Rt1.5 Reagents: Potassium Carbonate; Rt
  标题:Selective Reduction Of Carbonyl Compounds With B-Trifluoromethane-Sulfonyldiisopinocampheylborane In Ethyl Ether
  作者:Cha,Jin Soon
  参考文献:Bulletin Of The Korean Chemical Society 日期:2009 卷标:30(7) 页码:1658-1660]
  
  529-20-4 = 89-95-2
  反应条件:1.1 Reagents: Ammonia Catalysts: Sodium Tetrakis[3,5-Bis(Trifluoromethyl)Phenyl]Borate,(Oc-6-65)-Carbonylchloro[2-[[[2-(Diphenylphosphino-Kp)Phenyl]Imino-Kn]Methyl]Phe... Solvents: Water; 10 Min,Rt1.2 Reagents: Triethylsilane; Rt
  标题:One-Pot Reductive Amination Of Aldehydes Catalyzed By A Hydrio-Iridium(Iii) Complex In Aqueous Medium
  作者:Lai,Rung-Yi; Lee,Chun-I.; Liu,Shiuh-Tzung
  参考文献:Tetrahedron 日期:2008 卷标:64(7) 页码:1213-1217]
  
  529-20-4 = 89-95-2
  反应条件:1.1 Reagents: Phenyl B,B-Bis(2,6,6-Trimethylbicyclo[3.1.1]Hept-3-Yl)Borinate Solvents: Tetrahydrofuran; 3 H,25 °C
  标题:Selective Reduction Of Carbonyl Compounds With B-Phenoxydiisopinocampheylborane: Comparison Of Its Reactivity To The Cyclohexoxy Derivative
  作者:Cha,Jin Soon; Nam,Ho Tae; Jang,Seung Ho; Kwon,Sang Young; Park,Seung Jin; Et Al
  参考文献:Bulletin Of The Korean Chemical Society 日期:2004 卷标:25(12) 页码:1948-1950]
  
  118-90-1 = 89-95-2 [标题:Reaction Conditions
  标题:Transformation Of O-Toluate In Pseudomonas Putida Isolate 1065 And Rhizopus Japonicus Atcc 24794
  作者:Engelhardt,Gabriele; Wallnoefer,P.
  参考文献:Archiv Fuer Mikrobiologie 日期:1973 卷标:93(3) 页码:229-37]
  
  529-20-4 = 89-95-2
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium,Chitosan Solvents: Methanol; 2 H,2.5 Mpa,50 °C
  标题:Chitosan Derived Efficient And Stable Pd Nano-Catalyst For High Efficiency Hydrogenation
  作者:Zheng,Xingli; Li,Yan; Li,Wendian; Pei,Xianglin; Ye,Dongdong
  参考文献:International Journal Of Biological Macromolecules 日期:2023 卷标:241]
  
  529-20-4 = 89-95-2
  反应条件:1.1 Reagents: Hydrogen Catalysts: Iron Oxide (Fe3O4),Silver Solvents: Water; 24 H,40 Bar,100 °C
  标题:Microwave-Assisted Synthesis Of Magnetic Carboxymethyl Cellulose-Embedded Ag-Fe3O4 Nanocatalysts For Selective Carbonyl Hydrogenation
  作者:Li,Alain You; Kaushik,Madhu; Li,Chao-Jun; Moores,Audrey
  参考文献:Acs Sustainable Chemistry & Engineering 日期:2016 卷标:4(3) 页码:965-973]
  
  529-20-4 = 89-95-2
  反应条件:1.1 Reagents: Formic Acid,Sodium Hydroxide Catalysts: Iridium Solvents: Water; 18 H,100 °C
  标题:Chemoselective Transfer Hydrogenation Of Aldehydes And Ketones With A Heterogeneous Iridium Catalyst In Water
  作者:Wang,Zhi; Huang,Lei; Geng,Longfei; Chen,Rizhi; Xing,Weihong; Et Al
  参考文献:Catalysis Letters 日期:2015 卷标:145(4) 页码:1008-1013]
  
  8068-05-1 = 89-95-2 + 589-18-4 + 874-41-9 + 620-14-4
  反应条件:1.1 Catalysts: Titanium Mononitride,Molybdenum Carbide Nitride; 6 H,330 °C
  标题:Molybdenum Carbide,Supercritical Ethanol And Base: Keys For Unlocking Renewable Btex From Lignin
  作者:Lui,Matthew Y.; Et Al
  参考文献:Applied Catalysis 日期:2023 卷标:325]
  
  89-71-4 = 89-95-2
  反应条件:1.1 Reagents: (Dimethyl Sulfide)Trihydroboron Solvents: 2-Methyltetrahydrofuran; 20 Min,90 °C
  标题:Continuous-Flow Amide And Ester Reductions Using Neat Borane Dimethylsulfide Complex
  作者:Oetvoes,Sandor B.; Kappe,C. Oliver
  参考文献:Chemsuschem 日期:2020 卷标:13(7) 页码:1800-1807]
  
  = 89-95-2
  反应条件:1.1 Catalysts: Mcm 41So3H Solvents: Acetonitrile; 15 Min,Rt
  标题:Highly Efficient Protection Of Alcohols As Trityl Ethers Under Solvent-Free Conditions,And Recovery Catalyzed By Reusable Nanoporous Mcm-41-So3H
  作者:Gholamzadeh,Zeynab; Naimi-Jamal,Mohammad Reza; Maleki,Ali
  参考文献:Comptes Rendus Chimie 日期:2014 卷标:17(10) 页码:994-1001]
  
  529-20-4 = 89-95-2
  反应条件:1.1 Reagents: Acetic Acid,Anhydride With B,B-Bis(2,6,6-Trimethylbicyclo[3.1.1]Hept-3-Yl)Borin... Solvents: Tetrahydrofuran; 6 H,25 °C
  标题:Selective Reduction Of Carbonyl Compounds With B-Acetoxy- And B-Trifluoroacetoxydiisopinocampheylboranes
  作者:Cha,Jin Soon; Nam,Ho Tae; Park,Seung Jin; Kwon,Sang Yong; Kwon,Oh Oun
  参考文献:Bulletin Of The Korean Chemical Society 日期:2006 卷标:27(5) 页码:667-671]
  
  529-20-4 = 89-95-2
  反应条件:1.1 Reagents: Potassium Hydroxide Catalysts: Titania Solvents: Methanol; 2 H,Ph 12,25 °C
  标题:Tuning Selectivity Among Acetalization,Pinacol Coupling,And Hydrogenation Reactions Of Benzaldehyde By Catalytic And Photochemical Pathways At Room Temperature
  作者:Yang,Qingning; Li,Xiyi; Tang,Junwang
  参考文献:Materials Today Energy 日期:2022 卷标:23]
  
  529-20-4 = 89-95-2
  反应条件:1.1 Catalysts: 1570196-45-0 Solvents: Toluene,Water; 24 H,Ph 4.4,80 °C1.2 Reagents: Water; 0 °C
  标题:A Water/toluene Biphasic Medium Improves Yields And Deuterium Incorporation Into Alcohols In The Transfer Hydrogenation Of Aldehydes
  作者:Ruiz-Castaneda,Margarita; Santos,Lucia; Manzano,Blanca R.; Espino,Gustavo; Jalon,Felix A.
  参考文献:European Journal Of Inorganic Chemistry 日期:2021 卷标:2021(14) 页码:1358-1372]
  
  529-20-4 = 89-95-2
  反应条件:1.1 Reagents: Pinacolborane Catalysts: Sodium Hydride Solvents: Tetrahydrofuran; 25 - 27 °C; 30 Min,25 - 27 °C1.2 Reagents: Water1.3 Reagents: Sodium Hydroxide Solvents: Water; 1 H,25 - 27 °C
  标题:Catalytic Hydroboration Of Aldehydes And Ketones With Sodium Hydride: Application To Chemoselective Reduction Of Aldehydes Over Ketones
  作者:Shin,Won Kyu; Kim,Hanbi; Jaladi,Ashok Kumar; An,Duk Keun
  参考文献:Tetrahedron 日期:2018 卷标:74(43) 页码:6310-6315]
  
  529-20-4 = 89-95-2
  反应条件:1.1 Reagents: Potassium Carbonate,Hydrogen Catalysts: Tricarbonyl[(1,3,3A,7A-η)-4,5,6,7-Tetrahydro-1,3-Bis(Trimethylsilyl)-2H-Inden-2-... Solvents: Isopropanol,Water; 17 H,30 Bar,100 °C
  标题:General And Highly Efficient Iron-Catalyzed Hydrogenation Of Aldehydes,Ketones,And α,β-Unsaturated Aldehydes
  作者:Fleischer,Steffen; Zhou,Shaolin; Junge,Kathrin; Beller,Matthias
  参考文献:Angewandte Chemie 日期:2013 卷标:52(19) 页码:5120-5124]
  
  80515-66-8 = 89-95-2
  反应条件:1.1 Catalysts: 1H-Imidazolium,1,3-Disulfo-,Sulfate (1:1) Solvents: Methanol; 4 Min,Rt
  标题:Preparation,Characterization And Use Of 1,3-Disulfonic Acid Imidazolium Hydrogen Sulfate As An Efficient,Halogen-Free And Reusable Ionic Liquid Catalyst For The Trimethylsilyl Protection Of Hydroxyl Groups And Deprotection Of The Obtained Trimethylsilanes
  作者:Shirini,Farhad; Khaligh,Nader Ghaffari; Akbari-Dadamahaleh,Somayeh
  参考文献:Journal Of Molecular Catalysis A: Chemical 日期:2012 卷标:365 页码:15-23]
  
  529-20-4 = 89-95-2
  反应条件:1.1 Reagents: Isopropanol,Oxygen Catalysts: (Oc-6-52)-Dichloro[2-[6-(3,5-Dimethyl-1H-Pyrazol-1-Yl-Kn2)-2-Pyridinyl-Kn]-1H-Be... Solvents: Isopropanol; 5 Min,Rt1.2 Catalysts: Potassium Isopropoxide Solvents: Isopropanol
  标题:Room-Temperature Ru(Ii)-Catalyzed Transfer Hydrogenation Of Ketones And Aldehydes In Air
  作者:Zhao,Miao; Yu,Zhengkun; Yan,Shenggang; Li,Yang
  参考文献:Tetrahedron Letters 日期:2009 卷标:50(32) 页码:4624-4628]
  
  529-20-4 = 89-95-2
  反应条件:1.1 Reagents: Borinic Acid,Bis(2,6,6-Trimethylbicyclo[3.1.1]Hept-3-Yl)-,Cyclohexyl Ester Solvents: Tetrahydrofuran; 6 H,25 °C1.2 Reagents: Sodium Hydroxide Solvents: Tetrahydrofuran,Water1.3 Reagents: Hydrogen Peroxide Solvents: Tetrahydrofuran,Water; 2 H,Rt1.4 Reagents: Potassium Carbonate Solvents: Tetrahydrofuran,Water
  标题:Selective Reduction Of Carbonyl Compounds With B-Cyclohexyloxydiisopinocampheylborane
  作者:Cha,Jin Soon; Jang,Seung Ho; Kwon,Sang Young; Kwon,Oh Oun
  参考文献:Bulletin Of The Korean Chemical Society 日期:2004 卷标:25(5) 页码:603-604

海关参考信息

• 2902300000-甲苯
  2905110000-甲醇
  2906210000-苄醇
• 💡 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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• ➥ 防范代码详解
• ➥ 危险代码说明
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