CAS: 97-53-0; 4-Allyl-2-Methoxyphenol

• 英文名称4-Allyl-2-Methoxyphenol
• 中文名称丁香酚
• IUPAC名称4-allyl-2-methoxyphenol
• 其它别名丁香酚; 丁香油酚; 丁子香酚; 丁子香酸; 烯丙基甲氧基苯酚; 异丁香酚苯乙醚
• CAS编号97-53-0
• MFCD编号:MFCD00008654
• EINECS号:202-589-1
• FDA UNII编号:3T8H1794QW
• 分子式:C10H12O2
• 分子量:164.2
• 产品CID: 2021900
• 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: RRAFCDWBNXTKKO-UHFFFAOYSA-N
• InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3…
• 计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数3.0

物理性质

• 熔点-12--10°C
• 沸点255.0±0.0°C at 760 mmHg
• 闪点110°C
• 密度1.1±0.1 g/cm3
• pKa:pKa 9.8 (Uncertain)
• PSA:29.46
• LogP:2.1293
• 折射率1.536
• 蒸汽压0.0±0.5 mmHg at 25°C
• 溶解性2.46G/l
• 敏感性空气敏感
• 外观形态透明淡黄色至黄色液体
• 储存条件2-8°C
• 产品应用丁子香酚具有浓郁的石竹麝香气味,是康及謦系香精的调合基础,在化妆,皂用,食用等香精的调合中均有使用.丁子香酚具有很强的杀菌力,作为局部镇痛药可用于龋齿,且兼有局部防腐作用.丁子香酚是其他一些香料的中间体,衍生物有异丁子香酚,甲基丁子香酚,甲基异丁子香酚,乙酰丁子香酚,乙酰导师丁香酚,苄基异丁子香酚等.丁子香酚在氢氧化钾中加热时,丙烯基的双键发生重排作用,变为与苯环共轭的α-丙烯基,从而得到异丁香酚,经乙酰化和温和的氧化,α-丙烯基断裂,即得香草醛,它是一种重要的人造调味剂的主要成
• 性质描述无色或淡黄色液体.熔点-9.2--9.1°C,沸点253.2°C,相对密度1.065(20/4°C),折光率1.5410.能与醇,醚,氯仿,挥发油混溶,溶于冰醋酸和苛性碱溶液,不溶于水.在空气中颜色逐渐变深变稠.该品可将红色石蕊变蓝,与三氯化铁的乙醇溶液作用呈蓝色.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  皮肤致敏 类别1B
  皮肤致敏 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
  呼吸道致敏 类别1
  吸入危害 类别1
  急性毒性 类别5(经口)
  Aquatic Acute 2
  严重眼刺激 类别2A
  易燃液体 类别4
  Skin Mild Irrit. 3
• 警示词Warning(警告)
• 危险描述H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H317 |可能引起皮肤过敏反应.
  H302 |吞咽有害.
  H335 |可能引起呼吸道刺激.
  H334 |吸入可能引起过敏或哮喘症状或呼吸困难.
  H304 |吞咽并进入呼吸道可能致命.
  H303 |May be 吞咽有害
  H401 |Toxic to aquatic life
  H227 |可燃液体
  H316 |可能引起轻微皮肤刺激
• 防范说明P261-P264-P272-P273-P280-P302+P352-P363-P501
• UN编号UN1230 - class 3 - PG 2 - Methanol, solution
• 危险品标志Xn,Xi
• 安全声明26-36-24/25-23-36/37
• 危险类别码22-36/37/38-42/43-38-40-43-36/38
• 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 Eugenol 主要起始原料 4-Allyl-2-Methoxy-1-(Methoxymethoxy)Benzene
• 97-54-1 = 97-53-0
  反应条件:1.1 Catalysts: Dichlorotris(Triphenylphosphine)Ruthenium; Rt -> 60 °C; 4 H,60 °C
  标题:Preparation Of Vanillin From Eugenol
  参考文献:China]
  
  151276-06-1 = 97-53-0
  反应条件:1.1 Reagents: Cesium Carbonate Catalysts: Tetrabutylammonium Bromide,Palladium; 90 Min,100 °C
  标题:Application Of A New Phosphorus-Free Palladium Heterogeneous Nanocatalyst Supported On Modified Mwcnt The Highly Selective And Efficient Cleavage Of Propargyl,Allyl,And Benzyl Phenol Ethers Under Mild Conditions
  作者:Sharghi,Hashem; Khoshnood,Abbas; Khalifeh,Reza; Doroodmand,Mohammad Mehdi
  参考文献:Molecular Diversity 日期:2015 卷标:19(3) 页码:481-500]
  
  = 97-53-0
  反应条件:1.1 Reagents: Acetyl Bromide Catalysts: Lithium Bromide; 6 H,30 - 35 °C1.2 Reagents: Methanol; 0.75 - 4 H,Rt
  标题:Process For The Preparation Of Alcohol By Dealkylation Of Alkyl Ethers With Acyl Halide In The Presence Of A Catalytic System
  参考文献:India]
  
  = 97-53-0
  反应条件:1.1 Catalysts: 1,5-Diazabicyclo[4.3.0]Non-5-Ene Solvents: Decane
  标题:Preparation Of Phenyl Alkyl (Thio)Ethers
  参考文献:Germany]
  
  2216-99-1 = 97-53-0
  反应条件:1.1 Reagents: Lithium Chloride Solvents: N,N-Dimethylaniline; Rt -> 190 °C; 3 H,190 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; 1 H,25 °C
  标题:Method For Synthesizing Para-Eugenol
  参考文献:World Intellectual Property Organization]
  
  = 97-53-0
  反应条件:1.1 Reagents: Potassium Tert-Butoxide,1,1,3,3-Tetramethyldisiloxane,Manganese Catalysts: Dibromo[1,2-Di(Methoxy-Ko)Ethane]Nickel,1H-Imidazolium,1,3-Dicyclohexyl-,Tetrafluoroborate(1-) (1:1) Solvents: Toluene; 5 H,70 °C1.2 Reagents: Tetrabutylammonium Fluoride Solvents: Tetrahydrofuran; 2 H,70 °C
  标题:Nickel-Catalyzed Reductive Deoxygenation Of Diverse C-O Bond-Bearing Functional Groups
  作者:Cook,Adam; Maclean,Haydn; St. Onge,Piers; Newman,Stephen G.
  参考文献:Acs Catalysis 日期:2021 卷标:11(21) 页码:13337-13347]
  
  6331-61-9 = 97-53-0
  反应条件:1.1 Reagents: Triethylamine,Phosphorazidic Acid,Diethyl Ester Solvents: Dimethylformamide,Toluene; 30 Min,Rt; 3 H,Reflux1.2 Reagents: Potassium Hydroxide Solvents: Glycerol,Ethanol,Water; 2 H,Reflux1.3 Reagents: Citric Acid Solvents: Water; Ph 5
  标题:High-Yielding Cleavage Of (Aryloxy) Acetates
  作者:Spurg,Anke; Waldvogel,Siegfried R.
  参考文献:European Journal Of Organic Chemistry 日期:2008 卷标:(2) 页码:337-342]
  
  127393-84-4 = 97-53-0
  反应条件:1.1 Reagents: Nickel Dichloride Solvents: Methanol1.2 Reagents: Sodium Borohydride
  标题:Deoxymercuration With Nickel Boride
  作者:Singhal,G. M.; Sarma,J. C.; Sharma,R. P.
  参考文献:Indian Journal Of Chemistry 日期:1989 卷标:(1989) 页码:853-4]
  
  8068-05-1 = 97-53-0 + 2380-78-1 + 93-51-6 + 97-54-1 + 90-05-1 + 2785-89-9 + 306-08-1 + 127473-64-7
  反应条件:1.1 Catalysts: Silica Solvents: Ethanol; 4 H,290 °C
  标题:Catalytic Depolymerization Of Kraft Lignin To High Yield Alkylated-Phenols Over Como/sba-15 Catalyst In Supercritical Ethanol
  作者:Rana,Masud; Et Al
  参考文献:Rsc Advances 日期:2023 卷标:13(43) 页码:30022-30039]
  
  370085-78-2 = 97-53-0
  反应条件:1.1 Reagents: Water Solvents: Methyl Ethyl Ketone; 200 H,20 °C
  标题:Esterification Study Of Acetoxysilane By Alcohols And Phenols
  作者:Kopylov,Victor; Ivanov,Vladimir; Zheneva,Marina; Kireev,Vyacheslav; Djakov,Valerii
  参考文献:Organosilicon Chemistry V: Molecules To Materials 日期:2003 卷标:(2003) 页码:344-347]
  
  370085-78-2 = 97-53-0
  反应条件:1.1 Reagents: Silica,Oxygen; 20 H,20 °C; 10 H,100 °C
  标题:Silicone Derivatives Of Fragrant,Flavoring And Medicinal Substances
  参考文献:World Intellectual Property Organization]
  
  2463612-06-6 = 97-53-0
  反应条件:1.1 Reagents: P-Toluenesulfonic Acid Monohydrate Solvents: Dichloromethane; Rt
  标题:Preparation Of Eugenol
  参考文献:China]
  
  4125-45-5 = 97-53-0
  反应条件:1.1 Reagents: Tert-Butyllithium Solvents: Diethyl Ether,Pentane; -78 °C; 2 H,-78 °C1.2 Reagents: Methanol; -78 °C; -78 °C -> Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; Rt
  标题:Selective O-Deallylation Of Ortho-Allyloxyanisoles
  作者:Sanz,Roberto; Martinez,Alberto; Marcos,Cesar; Fananas,Francisco J.
  参考文献:Synlett 日期:2008 卷标:(13) 页码:1957-1960]
  
  151276-06-1 = 97-53-0
  反应条件:1.1 Reagents: Magnesium,Titanium Chloride (Ticl3) Solvents: Tetrahydrofuran
  标题:Selective Deprotection Of Ethers By Low-Valent Titanium: Facile Cleavage Of Propargyl Ethers
  作者:Nayak,Sandip K.; Kadam,Suresh M.; Banerji,Asoke
  参考文献:Synlett 日期:1993 卷标:(8) 页码:581-2]
  
  93-28-7 = 97-53-0
  反应条件:1.1 Catalysts: Permanganic Acid (Hmno4),Potassium Salt (1:1) Solvents: Methanol; 1 - 12 H,Rt
  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]
  
  143654-03-9 = 97-53-0
  反应条件:1.1 Reagents: Bismuth Trichloride Solvents: Acetonitrile,Water; 1 H,50 °C
  标题:Bismuth Trichloride-Mediated Cleavage Of Phenolic Methoxymethyl Ethers
  作者:Obaro-Best,Oghale; Reed,Jack; Norfadilah,Alya A. F. B.; Monahan,Ryan; Sunasee,Rajesh
  参考文献:Synthetic Communications 日期:2016 卷标:46(7) 页码:586-593]
  
  90-05-1 = 97-53-0
  反应条件:1.1 Catalysts: Cupric Nitrate,Cobalt Dinitrate Solvents: Water; Rt -> 75 °C; 75 °C -> Rt1.2 Catalysts: Urea; 12 H,200 °C; 900 °C1.3 Catalysts: Ethylenediaminetetraacetic Acid,(+)-Tartaric Acid1.4 Reagents: Ammonium Hydroxide Solvents: Water; Ph 111.5 Reagents: Sodium Hydroxide Solvents: Water; Rt; Rt -> 16 °C1.6 Reagents: Sodium Chloride Solvents: Water; 16 °C; 16 °C -> 12 °C1.7 2 H,22 °C; 1 H,27 °C
  标题:A Method For Synthesis Of Eugenol
  参考文献:China]
  
  214330-24-2 = 97-53-0
  反应条件:1.1 Catalysts: Sodium Tetrachloroaurate Solvents: Methanol; 7 H,Rt
  标题:Mild And Selective Deprotection Of Tert-Butyl(Dimethyl)Silyl Ethers With Catalytic Amounts Of Sodium Tetrachloroaurate(Iii) Dihydrate
  作者:Zhang,Qi; Kang,Xiuqin; Long,Lei; Zhu,Lijuan; Chai,Yonghai
  参考文献:Synthesis 日期:2015 卷标:47(1) 页码:55-64]
  
  93-28-7 = 97-53-0
  反应条件:1.1 Reagents: Potassium Iodide,Aluminum Trichloride Hexahydrate Solvents: Acetonitrile,Water; 30 Min,Rt1.2 4 H,80 °C
  标题:Alcl3.6H2O/ki/ch3Cn/h2O. An Efficient And Versatile System For Chemoselective C-O Bond Cleavage And Formation Of Halides And Carbonyl Compounds From Alcohols In Hydrated Media
  作者:Gogoi,Pranjal; Konwar,Dilip; Das Sharma,Saikat; Gogoi,Prodip Kumar
  参考文献:Synthetic Communications 日期:2006 卷标:36(9) 页码:1259-1264]
  
  108-31-6 + 97-53-0 = 97-53-0
  反应条件:1.1 Catalysts: Hydrochloric Acid Solvents: Acetone,Water; 80 °C
  标题:Study On Characterization And Degree Of Esterification Of Styrene Maleic Anhydride By Some Medicines
  作者:Rajput,Ravish Singh; Rupainwar,D. C.; Singh,Rama Kant; Singh,Amarika
  参考文献:Indian Journal Of Chemistry 日期:2009 卷标:(2009) 页码:1597-1600

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2902600000-乙苯
  2905110000-甲醇
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