CAS: 93-28-7; 4-Allyl-2-Methoxyphenyl Acetate

• 英文名称4-Allyl-2-Methoxyphenyl Acetate
• 中文名称乙酸丁香酚酯
• IUPAC名称4-allyl-2-methoxyphenyl acetate
• 其它别名2-Methoxy-4-(Prop-2-Enyl)Phenyl Acetate (Acetyleugenol); 2-Methoxy-4-(2-Propenyl)Phenyl Acetate; Eugenyl Acetate, >=, Fcc, Fg; Acetic Acid 4-Allyl-2-Methoxy
• CAS编号93-28-7
• MFCD编号:MFCD00026191
• EINECS号:202-235-6
• FDA UNII编号:V9OSB376X8
• 分子式:C12H14O3分子量:206.24
• 产品CID: 1971182
• 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: SCCDQYPEOIRVGX-UHFFFAOYSA-N
• InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4,6-8H,1,5H2,2-3H3
• 计算化学: 氢键受体数3.0氢键供体数*可旋转键数4.0

物理性质

• 熔点26 °C
• 沸点281-286 °C at 760 mmHg
• 闪点110°C
• 密度1.1±0.1 g/cm3
• PSA:35.53
• LogP:2.349
• 折射率1.507
• 蒸汽压0.0±0.5 mmHg at 25°C
• 溶解性Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
• 敏感性Stable. Combustible. Incompatible with strong oxidizing agents.
• 外观形态白色或无色至淡黄色无色至淡黄色油状物至半固体
• 储存条件在惰性气体(氮气或氩气)下 2-8°C
• 产品应用乙酸丁香酚酯(93-28-7)的用途:GB 2760―96允许使用的食用香料.本品主要用以配制香草,浆果和混合香辛料等型香精,可代替或配合丁香酚供调香用.
• 性质描述乙酸丁香酚酯(93-28-7)的性状:1.熔融白色结晶固体,在较高温度下液化成淡黄色液体,具有柔和的丁香似香气.2.沸点282°C,熔点29°C.闪点66°C.溶于乙醇和乙醚,不溶于水.3.天然品含于丁香花芽油中.毒性:1.GRAS(FEMA).2.LD501670 mg/kg(大鼠,经口).

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别急性毒性 类别4(经口)
  皮肤致敏 类别1B
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
  H317 |可能引起皮肤过敏反应.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501
• UN编号NONH for all modes of transport
• 危险品标志Xn
• 安全声明36
• 危险类别码22-38
• WGK Germany2

欧盟法规

上下游产品

合成工艺路线路线简述

• 97-53-0 = 93-28-7
  反应条件:1.1 Catalysts: Pyridine; > 1 H,Rt
  标题:Improved Thin-Layer Chromatography Bioautographic Assay For The Detection Of Acetylcholinesterase Inhibitors In Plants
  作者:Yang,Zhong-Duo; Song,Zhu-Wen; Ren,Jin; Yang,Ming-Jun; Li,Shuo
  参考文献:Phytochemical Analysis 日期:2011 卷标:22(6) 页码:509-515]
  
  97-53-0 = 93-28-7
  反应条件:1.1 1 H,75 °C; 75 °C -> 140 °C; 3 H,140 °C
  标题:Blocked Phenolic Silanes And Their Manufacture
  参考文献:World Intellectual Property Organization]
  
  97-53-0 = 93-28-7
  反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane; 0 °C; 2 H,Rt
  标题:Method For Synthesizing 4-Hydroxycinnamaldehyde Compounds
  参考文献:China]
  
  97-53-0 = 93-28-7
  反应条件:1.1 Solvents: Acetic Acid; 1.5 H,Reflux
  标题:Design And Synthesis Of Novel Pyrethroids Containing Eugenol Moiety
  作者:Wang,Xinlong; Yi,Meigui; Du,Quanhai; Wu,Aimin; Xiao,Rong
  参考文献:Medicinal Chemistry Research 日期:2012 卷标:21(10) 页码:2827-2830]
  
  97-53-0 = 93-28-7
  反应条件:1.1 Reagents: Sodium Acetate
  标题:Acetylation Of Eugenol And Isoeugenol In Microwave Oven
  作者:Le,Ngoc Thach; Nguyen,Ta Bach Nga; Nguyen,Dinh Van Du
  参考文献:Tap Chi Hoa Hoc 日期:1997 卷标:35(3) 页码:68-70]
  
  97-53-0 = 93-28-7
  反应条件:1.1 Solvents: Water; 9.9 S,5 Mpa,200 °C
  标题:A Highly Selective,High-Speed,And Hydrolysis-Free O-Acylation In Subcritical Water In The Absence Of A Catalyst
  作者:Sato,Masahiro; Matsushima,Keiichiro; Kawanami,Hajime; Ikuhsima,Yutaka
  参考文献:Angewandte Chemie 日期:2007 卷标:46(33) 页码:6284-6288]
  
  97-53-0 = 93-28-7
  反应条件:1.1 Catalysts: Indium Trichloride; 15 Min,Rt
  标题:Indium(Iii) Chloride As A New,Highly Efficient,And Versatile Catalyst For Acylation Of Phenols,Thiols,Alcohols,And Amines
  作者:Chakraborti,Asit K.; Gulhane,Rajesh
  参考文献:Tetrahedron Letters 日期:2003 卷标:44(35) 页码:6749-6753]
  
  97-53-0 = 93-28-7
  反应条件:1.1 Catalysts: Iron,Aluminum Phosphate; 30 Min,Rt
  标题:Modified Mesoporous Aluminophosphate As An Efficient Solid Acid Catalyst For The Synthesis Of Novel O- And N-Acetylated Compounds: Solvent Free Condition
  作者:Shyamprasad,K.; Mohamed Shamshuddin,S. Z.; Shyamsundar,M.; Thimmaraju,N.
  参考文献:Journal Of Porous Materials 日期:2016 卷标:23(4) 页码:1095-1105]
  
  97-53-0 = 93-28-7
  反应条件:1.1 30 Min,85 °C
  标题:Use Of Eugenol And Rosin As Feedstocks For Biobased Epoxy Resins And Study Of Curing And Performance Properties
  作者:Qin,Jianglei; Liu,Hongzhi; Zhang,Pei; Wolcott,Michael; Zhang,Jinwen
  参考文献:Polymer International 日期:2014 卷标:63(4) 页码:760-765]
  
  97-53-0 = 93-28-7
  反应条件:1.1 Reagents: Sodium Acetate Solvents: Dimethylacetamide; 12 H,130 °C
  标题:Engineering Double Load-Sharing Network In Thermosetting: Much More Than Just Toughening
  作者:Cao,Qi; Li,Jiahui; Qi,Yu; Zhang,Shouhai; Wang,Jinyan; Et Al
  参考文献:Macromolecules (Washington 日期:2022 卷标:55(21) 页码:9502-9512]
  
  97-53-0 = 93-28-7
  反应条件:1.1 Reagents: Sodium Acetate
  标题:Structure-Activity Relationships Of Eugenol Derivatives Against Aedes Aegypti (Diptera: Culicidae) Larvae
  作者:Barbosa,Juliana D. F.; Silva,Viviane B.; Alves,Pericles B.; Gumina,Giuseppe; Santos,Roseli L. C.; Et Al
  参考文献:Pest Management Science 日期:2012 卷标:68(11) 页码:1478-1483]
  
  97-53-0 = 93-28-7
  反应条件:1.1 Reagents: Pyridine Solvents: Dichloromethane; 24 H,Rt1.2 Reagents: Water; 30 Min,Rt
  标题:Ticl4/et3N-Mediated Condensation Of Acetate And Formate Esters: Direct Access To β-Alkoxy- And β-Aryloxyacrylates
  作者:Alvarez-Calero,Jose Maria; Jorge,Zacarias D.; Massanet,Guillermo M.
  参考文献:Organic Letters 日期:2016 卷标:18(24) 页码:6344-6347]
  
  97-53-0 = 93-28-7
  反应条件:1.1 Catalysts: Lipase Calb (Candida Antarctica); 6 H,50 °C
  标题:Synthesis Of Eugenol Esters By Lipase-Catalyzed Reaction In Solvent-Free System
  作者:Chiaradia,V.; Paroul,N.; Cansian,R. L.; Junior,C. V.; Detofol,M. R.; Et Al
  参考文献:Applied Biochemistry And Biotechnology 日期:2012 卷标:168(4) 页码:742-751]
  
  97-53-0 = 93-28-7
  反应条件:1.1 Reagents: Sodium Acetate; 40 S,130 °C
  标题:Larvicidal And Structure-Activity Studies Of Natural Phenylpropanoids And Their Semisynthetic Derivatives Against The Tobacco Armyworm Spodoptera Litura (Fab.) (Lepidoptera: Noctuidae)
  作者:Bhardwaj,Anu; Kumar Tewary,Dhananjay; Kumar,Rakesh; Kumar,Vinod; Kumar Sinha,Arun; Et Al
  参考文献:Chemistry & Biodiversity 日期:2010 卷标:7(1) 页码:168-177]
  
  97-53-0 = 93-28-7
  反应条件:1.1 24 H,80 °C
  标题:Disulfide Vitrimeric Materials Based On Cystamine And Diepoxy Eugenol As Bio-Based Monomers
  作者:Roig,Adria; Agizza,Marco; Serra,Angels; De La Flor,Silvia
  参考文献:European Polymer Journal 日期:2023 卷标:194]
  
  97-53-0 = 93-28-7
  反应条件:1.1 Catalysts: Dabco; 1.5 H,200 °C
  标题:A Production Method Of Eugenyl Acetate
  参考文献:China]
  
  97-53-0 = 93-28-7
  反应条件:1.1 Reagents: Sodium Carbonate Solvents: Ethyl Acetate; 24 H
  标题:Synthesis Of New Fused Ring Sultone From Eugenol And Its Derivatives
  作者:Sudarma,I. M.; Hidayati,R.; Darmayanti,M. G.
  参考文献:Rasayan Journal Of Chemistry 日期:2020 卷标:13(2) 页码:1193-1198]
  
  97-53-0 = 93-28-7
  反应条件:1.1 Catalysts: Potassium Carbonate Solvents: Ethyl Acetate; 24 H,Rt1.2 Reagents: Sodium Carbonate; Rt
  标题:Synthesis Of 5-Hydroxy-4-Methoxy-α-Methyl-(1,2-Benzobutane Sultone) From Eugenol And Eugenil Acetate
  作者:Sudarma,I. M.; Supiani,L.; Syafitri,A.; Hidayati,W. K.; Oltantia,H.; Et Al
  参考文献:Asian Journal Of Chemistry 日期:2018 卷标:30(11) 页码:2411-2414]
  
  97-53-0 = 93-28-7
  反应条件:1.1 Catalysts: 1465765-17-6; 30 Min,Rt
  标题:A New Ferrocene-Based Bulky Pyridine As An Efficient Reusable Homogeneous Catalyst
  作者:Kashyap,Bishwapran; Phukan,Prodeep
  参考文献:Rsc Advances 日期:2013 卷标:3(35) 页码:15327-15336]
  
  97-53-0 = 93-28-7 [标题:Reaction Conditions
  标题:Kmno4-Catalyzed Chemoselective Deprotection Of Acetate And Controllable Deacetylation-Oxidation In One Pot
  作者:Gurawa,Aakanksha; Kumar,Manoj; Rao,Dodla S.; Kashyap,Sudhir
  参考文献:New Journal Of Chemistry 日期:2020 卷标:44(39) 页码:16702-16707

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2902600000-乙苯
  2907210001-间苯二酚
• 💡 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

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