CAS: 93-58-3; Methyl Benzoate

• ⚠️危险化学品目录(2015年版) 严重眼损伤/眼刺激,类别2
• 英文名称Methyl Benzoate
• 中文名称苯酸甲酯
• IUPAC名称methyl benzoate
• 其它别名Benzoic acid methyl ester
• CAS编号93-58-3
• MFCD编号:MFCD00008421
• EINECS号:202-259-7
• FDA UNII编号:6618K1VJ9T
• 分子式:C8H8O2
• 分子量:136.15
• 产品CID: 1975414
• 产品分类化学农药原药 → 除草剂 → 取代脲类除草剂

• 相似结构搜索
• 产品信息参考;
• InChIKey: QPJVMBTYPHYUOC-UHFFFAOYSA-N
• InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3…
• 计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数2.0

物理性质

• 熔点-12 °C
• 沸点199.5±0.0 °C at 760 mmHg
• 闪点82.8±0.0 °C
• 密度1.1±0.1 g/cm3
• PSA:26.3
• LogP:2.2
• 折射率1.509
• 蒸汽压0.3±0.3 mmHg at 25°C
• 溶解性乙醇:可溶60%,澄清(1mL/4ml)
• 敏感性1.化学性质：苯甲酸甲酯比较稳定，但在苛性碱存在下加热时水解生成苯甲酸和甲醇。在密封管中于380～400°C加热8小时无变化。在灼热的金属网上热解时，生成苯、联苯、苯基苯甲酸甲酯等。在10MPa、350°C加氢生成甲苯。苯甲酸甲酯在碱金属乙醇化物存在下，与伯醇发生酯交换反应。例如，在室温下与乙醇反应有94％变成苯甲酸乙酯；与丙醇反应有84%变成苯甲酸丙酯。与异丙醇不发生酯交换反应。苯甲醇酯与乙二醇以氯仿作溶剂，加入少量碳酸钾回流时，得到乙二醇苯甲酸酯和少量乙二醇二苯甲醇酯。苯甲酸甲酯与甘油用吡啶作溶剂，在甲醇钠存在下加热时，也可进行酯交换反应，得到甘油的苯甲酸酯。2.苯甲醇甲酯用硝酸(相对密度1.517)在常温下进行硝化，以2：1的比例得到3-硝基苯甲酸甲酯与4-硝基苯甲酸甲酯。用氧化钍为催化剂，与氨在450～480°C反应生成苄腈。与五氯化磷一起加热至160～180°C得到苯酰氯。3.苯甲酸甲酯与三氯化铝和氯化锡形成结晶性的分子化合物，与磷酸形成片状结晶化合物。4.稳定性 稳定5.禁配物 强氧化剂、强碱6.聚合危害 不聚合
• 外观形态透明油性液体
• 储存条件储存注意事项储存于阴凉、通风的库房。远离火种、热源。库温不超过35°C，相对湿度不超过85%。保持容器密封保存。应与氧化剂、碱类、食用化学品分开存放，切忌混储。配备相应品种和数量的消防器材。储区应备有泄漏应急处理设备和合适的收容材料。
• 产品应用用于香料工业及用作溶剂.
• 性质描述无色油状液体,有强烈的花香和樱桃香味.熔点为-12.3°C,沸点199.6°C,相对密度1.0888(20/4°C),折射率1.5164,闪点83°C,着火温度505°C.与乙醚混溶,溶于甲醇,乙醇,不溶于水和甘油.

MSDS等安全信息

• GHS象形图
• GHS符号GHS08 & GHS07;
  注释: Health hazard & Exclamation mark
• 危险类别生殖毒性 类别2
  急性毒性 类别4(经口)
  急性毒性 类别4(经皮)
  STOT SE 2
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  水生慢性毒性 类别3
  吸入危害 类别1
  特定目标器官毒性 - 单次接触 类别3
  严重眼刺激 类别2A
  易燃液体 类别4
• 警示词Warning(警告)
• 危险描述H361d |怀疑对胎儿造成损害.
  H302 |吞咽有害.
  H312 |皮肤接触有害.
  H371 |可能损害器官.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H412 |对水生生物有害并具有长期持续影响.
  H304 |吞咽并进入呼吸道可能致命.
  H335 |可能引起呼吸道刺激.
  H227 |可燃液体
• 防范说明P264-P270-P301+P312-P501
• UN编号UN 2938
• 危险品标志Xn:Harmful;
• 安全声明S36
• 危险类别码R22
• 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 Methyl Benzoate 主要起始原料 Methanol And Benzoic Acid
• 134-81-6 = 93-58-3
  反应条件:1.1 Reagents: Oxygen Catalysts: Zinc; 12 H,5 Atm,120 °C
  标题:Zn-Nx Sites On N-Doped Carbon For Aerobic Oxidative Cleavage And Esterification Of C(Co)-C Bonds
  作者:Xie,Chao; Lin,Longfei; Huang,Liang; Wang,Zixin; Jiang,Zhiwei; Et Al
  参考文献:Nature Communications 日期:2021 卷标:12(1)]
  
  15206-55-0 = 93-58-3
  反应条件:1.1 Reagents: Oxygen Catalysts: Vitamin B12,Potassium Carbonate Solvents: Methanol; 0.1 Mpa,Rt -> 80 °C; 24 H,80 °C
  标题:Nitrogen-Doped Carbon-Modified Cobalt-Nanoparticle-Catalyzed Oxidative Cleavage Of Lignin β-O-4 Model Compounds Under Mild Conditions
  作者:Luo,Huihui; Wang,Lianyue; Li,Guosong; Shang,Sensen; Lv,Ying; Et Al
  参考文献:Acs Sustainable Chemistry & Engineering 日期:2018 卷标:6(11) 页码:14188-14196]
  
  65-85-0 = 93-58-3
  反应条件:1.1 Catalysts: Molybdate(3-),Tetracosa-μ-Oxododecaoxo[μ12-[phosphato(3-)-Ko:Ko:Ko:Ko′:Ko′:Ko′:... Solvents: Methanol; 6 H,80 °C
  标题:Nickel Salt Of Phosphomolybdic Acid As A Bi-Functional Homogeneous Recyclable Catalyst For Base Free Transformation Of Aldehyde Into Ester
  作者:Patel,Anjali; Patel,Jay
  参考文献:Rsc Advances 日期:2020 卷标:10(37) 页码:22146-22155]
  
  100-51-6 = 93-58-3
  反应条件:1.1 Reagents: Potassium Carbonate,Oxygen Catalysts: Cobalt Oxide (Coo),Cobalt,Zif 67 Solvents: Methanol; 12 H,1 Bar,80 °C
  标题:Conversion Of A Metal-Organic Framework To N-Doped Porous Carbon Incorporating Co And Coo Nanoparticles: Direct Oxidation Of Alcohols To Esters
  作者:Zhou,Yu-Xiao; Chen,Yu-Zhen; Cao,Lina; Lu,Junling; Jiang,Hai-Long
  参考文献:Chemical Communications (Cambridge 日期:2015 卷标:51(39) 页码:8292-8295]
  
  707-07-3 = 93-58-3
  反应条件:1.1 Reagents: Malononitrile,Water Catalysts: 2894140-03-3; 6 H,60 °C
  标题:Robust Acid-Base Ln-Mofs: Searching For Efficient Catalysts In Cycloaddition Of Co2 With Epoxides And Cascade Deacetalization-Knoevenagel Reactions
  作者:Si,Xuezhen; Pan,Xuze; Xue,Jintang; Yao,Qingxia; Huang,Xianqiang; Et Al
  参考文献:Rsc Advances 日期:2022 卷标:12(52) 页码:33501-33509]
  
  65-85-0 = 93-58-3
  反应条件:1.1 Solvents: Toluene; 24 H,80 °C
  标题:Esterification Or Thioesterification Of Carboxylic Acids With Alcohols Or Thiols Using Amphipathic Monolith-So3H Resin
  作者:Wakayama,Fumika; Ito,Ryo; Park,Kwihwan; Ishida,Moeka; Yamada,Yutaro; Et Al
  参考文献:Bulletin Of The Chemical Society Of Japan 日期:2021 卷标:94(11) 页码:2702-2710]
  
  65-85-0 = 93-58-3
  反应条件:1.1 Catalysts: 1,3-Dibromo-5,5-Dimethylhydantoin Solvents: Methanol; 7 H,60 °C
  标题:Method For Preparing Methyl Benzoate
  参考文献:China]
  
  65-85-0 = 93-58-3
  反应条件:1.1 Catalysts: Sulfuric Acid Solvents: Methanol; < 10 Min,70 - 80 °C
  标题:Cleaner Production Of Methyl Benzoate Using Solid Heterogenous Catalyst Via Electromagnetic Waves As An Energy Source
  作者:Umrigar,Vaishali; Chakraborty,Mousumi; Parikh,Parimal
  参考文献:Journal Of The Institution Of Engineers (India): Series E 日期:2020 卷标:101(2) 页码:109-114]
  
  100-51-6 = 93-58-3
  反应条件:1.1 Reagents: Potassium Carbonate,Oxygen Catalysts: Gold,Boron Nitride Solvents: Methanol; 10 H,1 Atm,30 °C
  标题:Insight Into The Effective Aerobic Oxidative Cross-Esterification Of Alcohols Over Au/porous Boron Nitride Catalyst
  作者:Zhang,Rong; Yang,Xi; Tao,Zheng; Wang,Xiao; Wang,Huixiang; Et Al
  参考文献:Acs Applied Materials & Interfaces 日期:2019 卷标:11(50) 页码:46678-46687]
  
  100-51-6 = 93-58-3
  反应条件:1.1 Reagents: Potassium Carbonate,Oxygen Catalysts: Cobalt,Atomic Nitrogen,Graphene Solvents: Methanol; 12 H,1.1 Atm,60 °C
  标题:Competitive Adsorption On Single-Atom Catalysts: Mechanistic Insights Into The Aerobic Oxidation Of Alcohols Over Co-N-C
  作者:Huang,Kuntao; Fu,Hongquan; Shi,Wen; Wang,Hongjuan; Cao,Yonghai; Et Al
  参考文献:Journal Of Catalysis 日期:2019 卷标:377 页码:283-292]
  
  873-76-7 = 93-58-3
  反应条件:1.1 Reagents: Potassium Carbonate,Oxygen Catalysts: Gold Compd. With Palladium (1:1) (Mesoporous Silica-Supported); 4 H,60 °C
  标题:Aerobic Oxidative Esterification Of Primary Alcohols Over Pd-Au Bimetallic Catalysts Supported On Mesoporous Silica Nanoparticles
  作者:Tsai,Chih-Hsiang; Xu,Mengze; Kunal,Pranaw; Trewyn,Brian G.
  参考文献:Catalysis Today 日期:2018 卷标:306 页码:81-88]
  
  65-85-0 = 93-58-3
  反应条件:1.1 Reagents: Thionyl Chloride Solvents: Methanol; 3 H,Rt -> Reflux
  标题:Rh(Iii)-Catalyzed [4 + 1] Cyclization Of Aryl Substituted Pyrazoles With Cyclopropanols Via C-H Activation
  作者:Chen,Wenxi; Mao,Yan; Wang,Min; Ling,Fei; Li,Changchang; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2023 卷标:21(4) 页码:775-782]
  
  538-86-3 = 93-58-3
  反应条件:1.1 Reagents: Tert-Butyl Hydroperoxide Catalysts: Carbon (Co/n-Doped) Solvents: Water; 12 H,80 °C
  标题:One-Pot Pyrolysis Method To Fabricate Co/n Co-Doped Hollow Mesoporous Spheres With Carbon/silica Binary Shells For Selective Oxidation Of Arylalkanes
  作者:Xiang,Ganghua; Zhang,Lushuang; Yi,Chengfeng; Liu,Zhigang
  参考文献:Applied Surface Science 日期:2022 卷标:577]
  
  100-52-7 = 93-58-3
  反应条件:1.1 Reagents: Potassium Carbonate,Oxygen Catalysts: Copper Carbide,Cobalt Nitride Solvents: Methanol; 6 H,1 Bar,50 °C
  标题:Dual-Metal Hetero-Single-Atoms With Different Coordination For Efficient Synergistic Catalysis
  作者:Zhao,Xin; Wang,Fengliang; Kong,Xiang-Peng; Fang,Ruiqi; Li,Yingwei
  参考文献:Journal Of The American Chemical Society 日期:2021 卷标:143(39) 页码:16068-16077]
  
  610-96-8 = 93-58-3
  反应条件:1.1 Reagents: Sodium Formate Catalysts: Mesna,2,4,5,6-Tetra(9H-Carbazol-9-Yl)Isophthalonitrile Solvents: Dimethyl Sulfoxide; 16 H,Rt
  标题:Radical Chain Reduction Via Carbon Dioxide Radical Anion (Co2-)
  作者:Hendy,Cecilia M.; Smith,Gavin C.; Xu,Zihao; Lian,Tianquan; Jui,Nathan T.
  参考文献:Journal Of The American Chemical Society 日期:2021 卷标:143(24) 页码:8987-8992]
  
  1126-46-1 = 93-58-3
  反应条件:1.1 Reagents: 2,3-Dihydro-1,3-Dimethyl-2-(2,4,6-Trimethoxyphenyl)-1H-Benzimidazole Catalysts: 2490194-67-5 Solvents: Acetonitrile-D3; 12 H
  标题:Effects Of Ligand Substitution On The Optical And Electrochemical Properties Of (Pyridinedipyrrolide)Zirconium Photosensitizers
  作者:Zhang,Yu; Leary,Dylan C.; Belldina,Anne M.; Petersen,Jeffrey L.; Milsmann,Carsten
  参考文献:Inorganic Chemistry 日期:2020 卷标:59(20) 页码:14716-14730]
  
  100-51-6 = 93-58-3
  反应条件:1.1 Reagents: Sodium Carbonate,Silver Oxide (Ag2O) Catalysts: Palladium,Silver (Colloids) Solvents: Methanol; 48 H,80 °C
  标题:Pd-Colloids-Catalyzed/ag2O-Oxidized General And Selective Esterification Of Benzylic Alcohols
  作者:Sable,Vaibhav; Shah,Jagrut; Sharma,Anuja; Kapdi,Anant R.
  参考文献:Chemistry - An Asian Journal 日期:2019 卷标:14(15) 页码:2639-2647]
  
  65-85-0 = 93-58-3
  反应条件:1.1 Reagents: Sulfuric Acid; 4 - 16 H,Reflux
  标题:5-Aryl-1,3,4-Oxadiazol-2-Ylthioalkanoic Acids: A Highly Potent New Class Of Inhibitors Of Rho/myocardin-Related Transcription Factor (Mrtf)/serum Response Factor (Srf)-Mediated Gene Transcription As Potential Antifibrotic Agents For Scleroderma
  作者:Kahl,Dylan J.; Hutchings,Kim M.; Lisabeth,Erika Mathes; Haak,Andrew J.; Leipprandt,Jeffrey R.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2019 卷标:62(9) 页码:4350-4369]
  
  1126-46-1 = 93-58-3
  反应条件:1.1 Catalysts: Palladium,Poly(N-Isopropylacrylamide) (Thiolated,Click Products With Zirconia Complex),Tetra-μ3-Hydroxyhexakis[μ-[2-[(2-Methyl-1-Oxo-2-Propen-1-Yl)Amino]-1,4-Benzenedi... (Click Products With Thiolated Polyisopropylacrylamide) Solvents: Toluene,Water; 4 H,25 °C
  标题:Temperature Responsive Metal Organic Framework Nanocrystal And Preparation Method And Application Thereof
  参考文献:China]
  
  10182-84-0 + 37181-39-8 = 93-58-3
  反应条件:1.1 Reagents: 4-Phenyl-1-Butene,Tempo Catalysts: Bis(Hexafluoroacetylacetonato)Palladium Solvents: Dichloromethane-D2,Acetonitrile-D3,Water; 1 H,1 Atm,Rt1.2 Reagents: Trifluoromethanesulfonic Acid
  标题:Palladium-Catalyzed Intermolecular Arylcarbonylation Of Unactivated Alkenes: Incorporation Of Bulky Aryl Groups At Room Temperature
  作者:Li,Xiang; Chen,Pinhong; Liu,Guosheng
  参考文献:Angewandte Chemie 日期:2018 卷标:57(48) 页码:15871-15876]
  
  9004-74-4 + 98-88-4 = 93-58-3 + 939-55-9
  反应条件:1.1 Catalysts: Kunipia F (Hydrogen-Exchanged); 48 H,100 °C
  标题:Depolymerization Of Polyethers To Chloroesters Using Heterogeneous Proton-Exchanged Montmorillonite Catalyst
  作者:Maeno,Zen; Yamada,Shota; Mitsudome,Takato; Mizugaki,Tomoo; Jitsukawa,Koichiro
  参考文献:Chemistryselect 日期:2016 卷标:1(2) 页码:201-204

海关参考信息

• 2906210000-苄醇
  2912110000-甲醛
  2912210000-苯甲醛
  2915110000-甲酸
• 💡 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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• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
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