CAS: 90-64-2; 2-Hydroxy-2-Phenylacetic Acid

• 英文名称2-Hydroxy-2-Phenylacetic Acid
• 中文名称DL-苦杏仁酸
• IUPAC名称2-hydroxy-2-phenylacetic acid
• 其它别名α苯羟乙酸; (+/-)-Mandelic Acid; Dl-Mandelic Acid
• CAS编号90-64-2
• MFCD编号:MFCD00064250
• EINECS号:202-007-6
• 分子式:C8H8O3
• 分子量:152.15
• 产品CID: 1939968
• 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: IWYDHOAUDWTVEP-UHFFFAOYNA-N
• InChI=1/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(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2.0

物理性质

• 熔点119-121°C
• 沸点321.8°C at 760 mmHg
• 闪点162.6±18.8 °C
• 密度1.3±0.1 g/cm3
• PH:[α]D20 -0.5～+0.5° (c=2, H2O)
• pKa:3.85(at 25°C)
• PSA:57.53
• LogP:0.8046
• 折射率1.591
• 蒸汽压0.0±0.7 mmHg at 25°C
• 溶解性139G/l
• 敏感性光敏感
• 外观形态白色晶体或结晶粉末
• 储存条件存储低于 +30°C.
• 产品应用在医药工业可用于头孢羟唑,血管扩张药环扁桃酸酯,滴眼药羟苄唑,匹莫林等的中间体,也可作防腐剂.
• 性质描述白色斜方片状结晶,露置遇光变色分解.熔点119°C.相对密度1.30.易溶于乙醚,异丙醇,溶于乙醇和水.R型熔点为133°C,[α]-159.73°(乙醇),于160°C逐渐外消旋化.S型熔点为133.8°C,[α]+156.57°(水).

MSDS等安全信息

• GHS象形图
• GHS符号GHS05;
  注释: Corrosion
• 危险类别严重眼损伤 类别1
  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Danger(危险)
• 危险描述H318 |造成严重眼损伤.
  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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险等级8
• UN编号3259.0
• 危险品标志Xn,Xi
• 包装等级Ⅲ
• 安全声明22-24/25-37/39-26-36
• 危险类别码36/37/38-22
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 98-86-2 = 90-64-2
  反应条件:1.1 Reagents: Selenium Dioxide Catalysts: Amberlyst A 26 Solvents: 1,4-Dioxane,Water; 24 H,90 °C
  标题:Amberlyst A-26,An Efficient And Reusable Heterogeneous Catalyst For A One-Pot Oxidation-Cannizzaro Reaction
  作者:Shen,Ming-Gui; Shang,Shi-Bin; Song,Zhan-Qian; Wang,Dan; Rao,Xiao-Ping; Et Al
  参考文献:Journal Of Chemical Research 日期:2013 卷标:37(1) 页码:51-52]
  
  774-40-3 = 90-64-2
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Poly(Vinylpyrrolidone),Gold Alloy,Base,Au 50,Pd 50 Solvents: Water; Rt
  标题:Compositional Effect In Aupd Bimetallic Nanoparticles Towards Product Selectivity During Aerobic Oxidation Of α-Hydroxy Esters And Phosphonates
  作者:Bhattacharya,Tamalika; Majumdar,Biju; Sarma,Tridib K.
  参考文献:Chemistryselect 日期:2016 卷标:1(16) 页码:5265-5269]
  
  = 90-64-2
  反应条件:1.1 Catalysts: Nitrilase Solvents: Water; Ph 7.3,30 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 1.5,Rt1.3 Reagents: Sodium Hydroxide Solvents: Water; Ph 10,Rt
  标题:Hydrolysis Of Nitriles Using An Immobilized Nitrilase: Applications To The Synthesis Of Methionine Hydroxy Analogue Derivatives
  作者:Rey,Patrick; Rossi,Jean-Christophe; Taillades,Jacques; Gros,Georges; Nore,Olivier
  参考文献:Journal Of Agricultural And Food Chemistry 日期:2004 卷标:52(26) 页码:8155-8162]
  
  = 90-64-2
  反应条件:1.1 Catalysts: Nitrilase Solvents: Water; Overnight,Ph 7.2,30 °C
  标题:Unexpected Stereorecognition In Nitrilase-Catalyzed Hydrolysis Of β-Hydroxy Nitriles
  作者:Kamila,Sukanta; Zhu,Dunming; Biehl,Edward R.; Hua,Ling
  参考文献:Organic Letters 日期:2006 卷标:8(20) 页码:4429-4431]
  
  = 90-64-2 [标题:Reaction Conditions
  标题:Oxidative And Methylative Deprotection Of Methylthiomethyl Esters
  作者:Gerdes,John M.; Wade,L. G. Jr.
  参考文献:Tetrahedron Letters 日期:1979 卷标:(8) 页码:689-90]
  
  17199-29-0 = 90-64-2
  反应条件:1.1 Reagents: 1,5-Diazabicyclo[4.3.0]Non-5-Ene1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Racemization And Asymmetric Transformation Of α-Substituted Carboxylic Acids
  作者:Ebbers,Evert Jan
  参考文献:1997]
  
  98-86-2 = 90-64-2
  反应条件:1.1 Reagents: Selenium Dioxide Catalysts: Ytterbium Triflate Solvents: Perfluorodecalin,Water; 12 H,90 °C
  标题:Rare Earth(Iii) Perfluorooctanesulfonates-Catalyzed Synthesis Of α-Hydroxy-Arylacetic Acids From Aryl Methyl Ketones In Fluorous Media
  作者:Shen,Ming-Gui; Cai,Chun
  参考文献:Catalysis Communications 日期:2007 卷标:8(6) 页码:871-875]
  
  93-56-1 = 90-64-2
  反应条件:1.1 Reagents: Sodium Hydroxide,Oxygen Catalysts: Iridium(1+),Dicarbonyl[1,2,3,5,6,7-Hexahydro-1,3,5,7-Tetramethylbenzo[1,2-D:4,5... Solvents: Water; 30 Min,Rt; 24 H,105 °C
  标题:Selective Transformation Of Vicinal Glycols To α-Hydroxy Acetates In Water Via A Dehydrogenation And Oxidization Relay Process By A Self-Supported Single-Site Iridium Catalyst
  作者:Shen,Lingyun; Chen,Zhe-Ning; Zheng,Qingshu; Wu,Jiajie; Xu,Xin; Et Al
  参考文献:Acs Catalysis 日期:2021 卷标:11(21) 页码:12833-12839

海关参考信息

• 2902600000-乙苯
  2905310000-1,2-乙二醇
  2906210000-苄醇
  2912110000-甲醛
• 💡 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