CAS: 93-16-3; 1,2-Dimethoxy-4-Propenylbenzene

• 英文名称1,2-Dimethoxy-4-Propenylbenzene
• 中文名称异丁香酚甲醚
• IUPAC名称1,2-dimethoxy-4-(prop-1-en-1-yl)benzene
• 其它别名1,2-Dimethoxy-4-[(1E)-Prop-1-En-1-Yl]Benzene; Isomethyleugenol; (E)-1,2-Dimethoxy-4-(1-Propenyl)Benzene; 1-(3,4-Dimethoxyphenyl)-1-Propene; Benzene,1,2-Dimethoxy,4-Propenyl Isoeugenol,Methyl Ether; W-1
• CAS编号93-16-3
• MFCD编号:MFCD00009282
• EINECS号:202-224-6
• 分子式:C11H14O2
• 分子量:178.23
• 产品CID: 1970186
• 产品分类有机原料→香精香料→辛香→辛香（肉桂/胡椒热感）

• 相似结构搜索
• InChIKey: NNWHUJCUHAELCL-UHFFFAOYSA-N
• InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4-…
• 计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数3.0

相似化合物

物理性质

• 熔点98-100°C
• 沸点271.1 °C at 760 mmHg
• 闪点110°C
• 密度1.0±0.1 g/cm3
• PSA:18.46
• LogP:2.7369
• 折射率1.534
• 蒸汽压0.0±0.5 mmHg at 25°C
• 溶解性Chloroform (Slightly), Methanol (Slightly)
• 外观形态无色油状物
• 储存条件密封, 常温干燥保存
• 产品应用属易制毒品,受国家管制.有机合成中间体,广泛用于制药和香料工业.
• 性质描述密度1.053,熔点62.6°C,折射率1.569

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别皮肤致敏 类别1A
  水生慢性毒性 类别2
  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
  急性毒性 类别3(吸入)
  呼吸道致敏 类别1
  皮肤致敏 类别1B
• 警示词Warning(警告)
• 危险描述H317 |可能引起皮肤过敏反应.
  H411 |对水生生物有毒并具有长期持续影响.
  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.
  H331 |吸入会中毒.
  H334 |吸入可能引起过敏或哮喘症状或呼吸困难.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
• UN编号2811
• 危险品标志Xn
• 安全声明22-26-36/37-45
• 危险类别码20/22-36/37/38-42
• WGK Germany2

欧盟法规

上下游产品

合成工艺路线路线简述

• 93-15-2 = 93-16-3
  反应条件:1.1 Catalysts: Benzenesulfonic Acid,4-Methyl-,Ruthenium(2+) Salt,Hydrate (2:1:6) Solvents: Water
  标题:Isomerization Of Olefins Catalyzed By The Hexaaquaruthenium(2+) Ion
  作者:Karlen,Thomas; Ludi,Andreas
  参考文献:Helvetica Chimica Acta 日期:1992 卷标:75(5) 页码:1604-6]
  
  72898-29-4 = 93-16-3
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Dimethyl Sulfoxide; 1 H,25 °C1.2 10 H,25 °C1.3 Reagents: Water; 25 °C
  标题:Sustainable Production Of Bioactive Molecules From C-Lignin-Derived Propenylcatechol
  作者:Song,Weihong; Du,Qinglian; Li,Xiancheng; Wang,Shuizhong; Song,Guoyong
  参考文献:Chemsuschem 日期:2022 卷标:15(14)]
  
  97-53-0 = 93-16-3
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Polyethylene Glycol; Rt -> 170 °C; 3 H,170 °C; 1 H,170 °C; Cooled1.2 Reagents: Hydrochloric Acid Solvents: Water; Neutralized,Cooled
  标题:Method For Synthesizing Methylisoeugenol
  参考文献:China]
  
  93-15-2 = 93-16-3
  反应条件:1.1 Reagents: 2,8-Bis(1-Methylethyl)-2,5,8,9-Tetraaza-1-Phosphabicyclo[3.3.3]Undecane Solvents: Acetonitrile; 24 H,40 °C
  标题:Synthesis Of Di-Substituted Proazaphosphatrane And Its Application In Carbon-Carbon Double-Bond Isomerization
  作者:Wu,Wei; Zhang,Xiao-Yun; Kang,Shou-Xing
  参考文献:Chemical Research In Chinese Universities 日期:2010 卷标:26(5) 页码:768-772]
  
  93-15-2 = 93-16-3
  反应条件:1.1 Reagents: Potassium Tert-Butoxide Solvents: Dimethyl Sulfoxide; 4 H,Reflux
  标题:Synthesis 3,4-Dimethoxybenzyl-2,4-Dihydroxyphenyl Ketone From Eugenol
  作者:Matsjeh,S.; Anwar,C.; Sholikhah,E. N.; Alimuddin,A. A.
  参考文献:International Journal Of Chemical Engineering And Applications 日期:2015 卷标:6(1) 页码:61-65]
  
  120-14-9 = 93-16-3
  反应条件:1.1 Reagents: Magnesium Solvents: Tetrahydrofuran; Rt1.2 Solvents: Tetrahydrofuran; Rt; 2 H,Rt
  标题:Synthesis,Antifeedant Activity Against Coleoptera And 3D Qsar Study Of Alpha-Asarone Derivatives
  作者:Lozowicka,B.; Kaczynski,P.; Magdziarz,T.; Dubis,A. T.
  参考文献:Sar And Qsar In Environmental Research 日期:2014 卷标:25(3) 页码:173-188]
  
  97-54-1 + 29908-03-0 = 93-16-3
  反应条件:1.1 Catalysts: Methyltransferase Solvents: Water; 18 H,Ph 7.4,30 °C
  标题:One-Pot Biocatalytic In Vivo Methylation-Hydroamination Of Bioderived Lignin Monomers To Generate A Key Precursor To L-Dopa
  作者:Galman,James L.; Parmeggiani,Fabio; Seibt,Lisa; Birmingham,William R.; Turner,Nicholas J.
  参考文献:Angewandte Chemie 日期:2022 卷标:61(8)]
  
  1530-32-1 + 120-14-9 = 93-16-3
  反应条件:1.1 Reagents: Potassium Tert-Butoxide Solvents: Diethyl Ether; 1 H,Rt -> Reflux1.2 Solvents: Diethyl Ether; 2 H,Reflux
  标题:Facile Synthesis Of Chiral Arylamines,Alkylamines And Amides By Enantioselective Nih-Catalyzed Hydroamination
  作者:Meng,Lingpu; Yang,Jingjie; Duan,Mei; Wang,You; Zhu,Shaolin
  参考文献:Angewandte Chemie 日期:2021 卷标:60(44) 页码:23584-23589]
  
  75927-49-0 + 93-15-2 = 93-16-3
  反应条件:1.1 Catalysts: (Sp-5-41)-[1,3-Bis(2,4,6-Trimethylphenyl)-2-Imidazolidinylidene]Dichloro[[2-(1-M... Solvents: Toluene; 18 H,Reflux
  标题:Synthesis Of Alkenyl Boronates From Allyl-Substituted Aromatics Using An Olefin Cross-Metathesis Protocol
  作者:Hemelaere,Remy; Carreaux,Francois; Carboni,Bertrand
  参考文献:Journal Of Organic Chemistry 日期:2013 卷标:78(13) 页码:6786-6792]
  
  93-15-2 = 93-16-3
  反应条件:1.1 Catalysts: Ruthenium,[(1,2,5,6-η)-1,5-Cyclooctadiene]Bis[(1,2,3-η)-2-Methyl-2-Propenyl]-; 1 Min,150 °C
  标题:Selective Catalytic Alkene Isomerization For Making Fragrance Ingredients Or Intermediates
  参考文献:World Intellectual Property Organization]
  
  97-54-1 = 93-16-3
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide; 6 H,Rt
  标题:Epoxy Resin Composition With Excellent Thermal Properties
  参考文献:Korea]
  
  97-54-1 = 93-16-3
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide; 6 H,Rt
  标题:Synthesis Of Isoeugenol Biobased Epoxy Polymer By Forming α-Hydroxyl Ester And Degradation Studies
  作者:Sivanesan,Dharmalingam; Seo,Bongkuk; Lim,Choong-Sun; Song,Jinyoung; Kim,Hyeon-Gook
  参考文献:Journal Of Applied Polymer Science 日期:2022 卷标:139(12)]
  
  97-54-1 = 93-16-3
  反应条件:1.1 Catalysts: Dimethyl Sulfide Solvents: Dimethyl Carbonate; 4 H,Rt -> 220 °C
  标题:Methylation With Dimethyl Carbonate/dimethyl Sulfide Mixtures: An Integrated Process Without Addition Of Acid/base And Formation Of Residual Salts
  作者:Lui,Yuen Wai; Chan,Bun; Lui,Matthew Y.
  参考文献:Chemsuschem 日期:2022 卷标:15(3)]
  
  93-15-2 = 93-16-3
  反应条件:1.1 Catalysts: 2,8,9-Trimethyl-2,5,8,9-Tetraaza-1-Phosphabicyclo[3.3.3]Undecane Solvents: Acetonitrile; 96 H,40 °C
  标题:Synthesis Of Bis(Isobutyl)Azaphosphatrane And Its Use In Double-Bond Isomerization
  作者:Wu,Wei; Zhang,Xiaoyun; Peng,Wei
  参考文献:Huaxue Tongbao 日期:2010 卷标:73(5) 页码:461-464]
  
  93-15-2 = 93-16-3
  反应条件:1.1 Catalysts: Sodium Hydroxide,Sodium; 2 H,Rt
  标题:Catalytic Modification Of Eugenol Over Superbase Catalyst Na/naoh/γ-Al2O3
  作者:Sutanto,Hery; Si,M.; Wibowo,Widajanti; Cahyana,A. Herry
  参考文献:Proceedings Of The Annual International Conference On Chemistry 日期:2013 卷标:1 页码:20-23]
  
  93-15-2 = 93-16-3
  反应条件:1.1 Reagents: Formaldehyde Catalysts: Triphenylphosphine,Rhodium,Tetrakis[μ-(Hexahydro-2H-Azepin-2-Onato-Kn1:Ko2)]Di-,(Rh-Rh) Solvents: Toluene; 20 H,90 °C
  标题:Valorisation Of Biobased Olefins Via Rh-Catalyzed Transfer Hydroformylation And Isomerization Using Formaldehyde As A Co/h2 Surrogate
  作者:Concha-Puelles,Matias; Cortinez,Antonio; Lezana,Nicolas; Vilches-Herrera,Marcelo; Luhr,Susan
  参考文献:Catalysis Science & Technology 日期:2022 卷标:12(22) 页码:6883-6890]
  
  97-53-0 = 93-16-3
  反应条件:1.1 Reagents: Potassium Hydroxide Catalysts: Polyethylene Glycol; 2 H,2 - 3 Mpa,Rt -> 200 °C; 3 H,200 °C
  标题:Simple And Environmentally-Friendly Method For Synthesizing Isoeugenol Methyl Ether
  参考文献:China]
  
  111222-50-5 = 93-16-3
  反应条件:1.1 Solvents: Diethyl Ether,Chloroform
  标题:Reactions Of Some N-Acyl-1-Alkylamines With Polyphosphoric Ester Ppe: Nuclear Magnetic Resonance And Stereochemistry Of Reaction Products
  作者:Alesso,Elba N.; Tombari,Dora G.; Moltrasio Iglesias,Graciela Y.; Aguirre,Jose M.
  参考文献:Canadian Journal Of Chemistry 日期:1987 卷标:65(11) 页码:2568-74]
  
  93-15-2 = 93-16-3
  反应条件:1.1 Reagents: Sodium Dodecyl Sulfate Catalysts: 1947407-22-8 Solvents: Water; 10 Min,Rt1.2 18 H,95 °C
  标题:Micellar Promoted Alkenes Isomerization In Water Mediated By A Cationic Half-Sandwich Ru(Ii) Complex
  作者:Sperni,Laura; Scarso,Alessandro; Strukul,Giorgio
  参考文献:Inorganica Chimica Acta 日期:2017 卷标:455 页码:535-539]
  
  75927-49-0 + 93-15-2 = 93-16-3 + 1618099-49-2
  反应条件:1.1 Catalysts: (Sp-5-41)-[1,3-Bis[2,6-Bis(1-Methylethyl)Phenyl]-2-Imidazolidinylidene]Dichloro[... Solvents: Toluene; 1 H,Reflux
  标题:Ruthenium-Catalyzed One-Pot Synthesis Of (E)-(2-Arylvinyl)Boronates Through An Isomerization/cross-Metathesis Sequence From Allyl-Substituted Aromatics
  作者:Hemelaere,Remy; Caijo,Frederic; Mauduit,Marc; Carreaux,Francois; Carboni,Bertrand
  参考文献:European Journal Of Organic Chemistry 日期:2014 卷标:2014(16) 页码:3328-3333

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2902300000-甲苯
  2902500000-苯乙烯
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