CAS: 89-83-8; Thymol

• 英文名称Thymol
• 中文名称百里酚
• IUPAC名称Phenol, 5-methyl-2-(1-methylethyl)-
• 其它别名2-Isopropyl-5-methyl phenol; 5-Methyl-2-(1-methylethyl)phenol
• CAS编号89-83-8
• MFCD编号:MFCD00002309
• EINECS号:201-944-8
• FDA UNII编号:3J50XA376E
• 分子式:C10H14O
• 分子量:150.22
• 产品CID: 1920182
• 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: MGSRCZKZVOBKFT-UHFFFAOYSA-N
• InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3…
• 计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数1.0

物理性质

• 熔点48-51°C
• 沸点233°C at 760 mmHg
• 闪点102.222±0.00 °C
• 密度0.965 g/mL at 25 °C(文献)
• PH:7
• pKa:10.59±0.10(预测)
• PSA:20.23
• LogP:2.82402
• 折射率nD20 1.5227; nD25 1.5204
• 蒸汽压1 mm Hg ( 64 °C)
• 溶解性Ethanol: Soluble50mg/mL
• 外观形态白色晶体或结晶粉末
• 储存条件2-8°C
• 产品应用药物或化学指示剂.药理作用:杀菌作用麝香草酚的杀菌作用比苯酚强,且毒性低,对口腔咽喉粘膜有杀菌,杀真菌作用,对龋齿腔有防腐,局麻作用,用于口腔,咽喉的消毒杀菌,皮肤癣菌病,放射菌病及耳炎.能促进气管纤毛运动,有利于气管粘液的分泌,易起祛痰作用,再加有杀菌作用,故可用于治疗气管炎,百日咳等.有很强的杀螨作用,1％溶液半小时死亡率100％,0．03％的溶液24h杀灭100％.亦可用作驱蛔虫剂.麝香草酚0．05％～0．2％溶液有较强的杀原头蚴作用,可在5～10min内达到100％杀死原头蚴的效果,作用迅速可靠
• 性质描述片状结晶(醋酸乙酯,醋酸或丙酮),熔点51．5°C,沸点233～235°C.在19．4°C时溶于1176份水,极易溶于乙醇,乙醚,醋酸,氯仿和苯.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS05 & GHS09;
  注释: Exclamation mark & Corrosion & Environment
• 危险类别急性毒性 类别4(经口)
  皮肤腐蚀 类别1B
  严重眼损伤 类别1
  水生慢性毒性 类别2
  皮肤腐蚀 类别1C
• 警示词Danger(危险)
• 危险描述H302 |吞咽有害.
  H314 |造成严重皮肤灼伤和眼损伤.
  H318 |造成严重眼损伤.
  H411 |对水生生物有毒并具有长期持续影响.
• 防范说明P260-P264-P270-P273-P280-P301+P330+P331-P304+P340-P330-P363-P391-P405-P501
• 危险等级8
• UN编号2430.0
• 危险品标志C,N
• 包装等级Ⅲ
• 安全声明26-28-36/37/39-45-61-28A
• 危险类别码22-34-51/53
• WGK Germany2

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 Thymol 主要起始原料 5-Methyl-2-(Prop-1-En-2-yl)Phenol
• 9005-53-2 = 89-83-8 + 88-60-8 + 87-85-4 + 876-20-0 + 2219-78-5 + 1758-88-9 + 13037-79-1 + 15181-13-2 + 13632-94-5
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium,Chromium Chloride (Crcl3) Solvents: Methanol; 4 H,2 Mpa,280 °C
  标题:Insight Into The Solvent,Temperature And Time Effects On The Hydrogenolysis Of Hydrolyzed Lignin
  作者:Shu,Riyang; Zhang,Qi; Ma,Longlong; Xu,Ying; Chen,Pengru; Et Al
  参考文献:Bioresource Technology 日期:2016 卷标:221 页码:568-575]
  
  18612-99-2 = 89-83-8
  反应条件:1.1 Reagents: Ethylene Glycol,Hydrogen Catalysts: Palladium Solvents: Ethanol
  标题:A Novel Route To Thymol From M-Cresol
  作者:Divakar,K. J.; Dhekne,V. V.; Kulkarni,B. D.; Joshi,P. L.; Rao,A. S.
  参考文献:Organic Preparations And Procedures International 日期:2000 卷标:32(1) 页码:92-94]
  
  = 89-83-8
  反应条件:1.1 Reagents: Iron Chloride (Fecl3)
  标题:Oil Of Eucalyptus Dives
  作者:Stephan,K.; Duker,Marg.
  参考文献:Journal Fuer Praktische Chemie (Leipzig) 日期:1931 卷标:129 页码:145-50]
  
  19177-04-9 = 89-83-8
  反应条件:1.1 Reagents: Boron Trifluoride Etherate
  标题:Alkylation Of M-Cresol With Propylene
  作者:Kharchenko,L. S.; Zavgorodnii,S. V.
  参考文献:Zhurnal Prikladnoi Khimii (Sankt-Peterburg 日期:1964 卷标:37(1) 页码:165-70]
  
  14002-90-5 = 89-83-8 + 18612-99-2
  反应条件:1.1 Reagents: Ethylene Glycol,Potassium Hydroxide Solvents: Ethylene Glycol; 1 H,Reflux
  标题:Ethylene Glycol As Hydrogen Donor For The Syntheses Of Thymol Analogues Via Hydrolysis Of 4-Methylcoumarins
  作者:Chang,Junbiao; Wang,Shuyang; Shen,Zhenhua; Huang,Gang; Zhang,Yueteng; Et Al
  参考文献:Tetrahedron Letters 日期:2012 卷标:53(50) 页码:6755-6757]
  
  = 89-83-8
  反应条件:1.1 Reagents: Sodium Bicarbonate,Hydrogen Catalysts: Palladium Solvents: Methanol; 60 Min,Rt
  标题:Reductive Dehalogenation Of Aryl Bromides And Chlorides And Their Use As Aryl Blocking Groups
  作者:Ramanathan,Ahalya; Jimenez,Leslie S.
  参考文献:Synthesis 日期:2010 卷标:(2) 页码:217-220]
  
  = 89-83-8
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Isopropanol,Water; 0 °C; 0 °C -> 120 °C; 0.5 - 2 H,80 - 120 °C1.2 Catalysts: Aluminum Chloride Solvents: Dichloromethane; 1 H,30 - 60 °C
  标题:Synthesis Of M-Thymol
  作者:Sheng,Wei-Jian; Wang,Yu-Hua; Jiang,Xu-Liang; Zhu,Chang-Ming
  参考文献:Zhejiang Gongye Daxue Xuebao 日期:2002 卷标:30(5) 页码:496-499]
  
  = 89-83-8
  反应条件:1.1 Catalysts: Sulfuric Acid,Amberlyst 15; 30 Min,150 °C
  标题:Microwave-Assisted Process Intensification Of Synthesis Of Thymol Using Carbonized Sulfonic Acidic Resin (Csa) Catalyst
  作者:Ali,Asraf A.; Gaikar,Vilas G.
  参考文献:Industrial & Engineering Chemistry Research 日期:2011 卷标:50(11) 页码:6543-6555]
  
  = 89-83-8
  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]
  
  = 89-83-8
  反应条件:1.1 Catalysts: Tungstate(6-),Hexatriaconta-μ-Oxooctadecaoxobis[μ9-[phosphato(3-)-Ko:Ko:Ko:Ko′:... Solvents: Methanol,Tetrahydrofuran; 10 Min,20 °C
  标题:Efficient Method For Tetrahydropyranylation/depyranylation Of Phenols And Alcohols Using A Solid Acid Catalyst With Wells-Dawson Structure
  作者:Romanelli,Gustavo P.; Baronetti,Graciela; Thomas,Horacio J.; Autino,Juan C.
  参考文献:Tetrahedron Letters 日期:2002 卷标:43(42) 页码:7589-7591]
  
  = 89-83-8 [标题:Reaction Conditions
  标题:Synthesis Of Thymol
  作者:Yang,Zeyu; Deng,Weici
  参考文献:Cuihua Xuebao 日期:1990 卷标:11(1) 页码:80-2]
  
  = 89-83-8
  反应条件:1.1 Reagents: Water Catalysts: P-Toluenesulfonic Acid
  标题:A Selective Hydrolysis Of Aryl Acetates
  作者:Blay,Gonzalo; Luz Cardona,M.; Begona Garcia,M.; Pedro,Jose R.
  参考文献:Synthesis 日期:1989 卷标:(6) 页码:438-9]
  
  29652-99-1 = 89-83-8
  反应条件:1.1 Catalysts: Grubbs Second Generation Catalyst Solvents: Dichloromethane
  标题:Olefin Isomerization By A Ruthenium Carbenoid Complex. Cleavage Of Allyl And Homoallyl Groups
  作者:Cadot,Christine; Dalko,Peter I.; Cossy,Janine
  参考文献:Tetrahedron Letters 日期:2002 卷标:43(10) 页码:1839-1841]
  
  = 89-83-8
  反应条件:1.1 Reagents: Lithium Aluminum Hydride Solvents: Diethyl Ether; 2 H,0 °C1.2 Reagents: Ammonium Chloride Solvents: Water
  标题:Chemical Composition Of Inula Cuspidata C.B. Clarke
  作者:Mathela,C. S.; Tiwari,A.; Padalia,R. C.; Chanotiya,C. S.
  参考文献:Indian Journal Of Chemistry 日期:2008 卷标:(8) 页码:1249-1253]
  
  8068-05-1 = 89-83-8 + 831-00-5 + 88-32-4 + 2219-78-5 + 13037-79-1 + 65565-33-5 + 527-18-4 + 77879-82-4 + 33963-27-8
  反应条件:1.1 Catalysts: Sodium Hydroxide Solvents: Methanol; 7 H,220 °C
  标题:Thermochemical Lignin Depolymerization And Conversion To Aromatics In Subcritical Methanol: Effects Of Catalytic Conditions
  作者:Singh,Sunit Kumar; Et Al
  参考文献:New Journal Of Chemistry 日期:2016 卷标:40(4) 页码:3677-3685

海关参考信息

• 2902600000-乙苯
  2902700000-异丙基苯
  2907121100-间甲酚
  2908199090-其他酚的卤化衍生物
• 💡 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