CAS: 88-18-6; 2-Tert-Butylphenol

• ⚠️危险化学品目录(2015年版) 皮肤腐蚀/刺激,类别1
• 英文名称2-Tert-Butylphenol
• 中文名称2-叔丁基苯酚
• IUPAC名称2-tert-butylphenol
• 其它别名Phenol,o-tert-butyl- (8CI); 2-(1,1-Dimethylethyl)phenol; 2-tert-Butyl-1-hydroxybenzene; 2-tert-Butylphenol; o-t-Butylphenol; o-tert-Butylphenol
• CAS编号88-18-6
• MFCD编号:MFCD00002223
• EINECS号:201-807-2
• 分子式:C10H14O
• 分子量:150.22
• 产品CID: 1891126
• 产品分类有机原料 → 醇、酚、酚醇类化合物及衍生物 → 酚及其卤化、磺化、硝化或亚硝化衍生物

• 相似结构搜索
• InChIKey: WJQOZHYUIDYNHM-UHFFFAOYSA-N
• InChI=1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)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−7  °C(文献)
• 沸点221.0±0.0 °C at 760 mmHg
• 闪点98.9±8.2 °C
• 密度1.0±0.1 g/cm3
• pKa:10.62(at 25°C)
• PSA:20.23
• LogP:3.17
• 折射率1.514
• 蒸汽压0.1±0.4 mmHg at 25°C
• 溶解性0.97G/l Soluble
• 敏感性1. 存在于烤烟烟叶、烟气中。
• 外观形态无色至淡黄色至浅橙色透明液体
• 储存条件存储低于 +30°C.
• 产品应用用作抗氧剂及用于有机合成.
• 性质描述常温下为无色或淡黄色液体,可燃,具有轻微的苯酚臭味.相对密度(d420)0.9783,折射率(nD20)1.516,沸点224.1°C,熔点-5.6°C,易溶于丙酮,苯,甲醇等有机溶剂,微溶于水.质量标准:项目指标外观无色或淡黄色液体色度(Pt-Co)≤50含量,≥99.5水份,≤0.05

MSDS等安全信息

• GHS象形图
• GHS符号GHS06 & GHS05 & GHS09;
  注释: Skull and crossbones & Corrosion & Environment
• 危险类别急性毒性 类别4(吸入)
  急性毒性 类别3(经皮)
  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/刺激 类别2
  严重眼刺激 类别2
  水生急性毒性 类别1
  水生慢性毒性 类别1
  急性毒性 类别4(经皮)
  急性毒性 类别2(吸入)
  特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀 类别1C
• 警示词Danger(危险)
• 危险描述H332 |吸入有害.
  H311 |皮肤接触会中毒.
  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.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H400 |对水生生物毒性极大.
  H410 |对水生生物毒性极大并具有长期持续影响.
  H312 |皮肤接触有害.
  H330 |吸入致命.
  H335 |可能引起呼吸道刺激.
• 防范说明P273-P280-P301+P312+P330-P303+P361+P353-P304+P340+P312-P305+P351+P338+P310
• 危险等级8
• UN编号UN 2922 8/PG 2
• 危险品标志T,N
• 包装等级III
• 安全声明26-36/37/39-45-61
• 危险类别码21/22-23-34-51/53-22
• WGK Germany2.0

欧盟法规

上下游产品

合成工艺路线路线简述

• 373354-37-1 = 88-18-6
  反应条件:1.1 Solvents: Chloroform
  标题:Photochemistry Of 3-Substituted Bicyclo[3.1.0]Hex-3-En-2-Ones. Regioselective Synthesis Of Ortho-Substituted Phenols By Pauson-Khand Reaction
  作者:Marchueta,Iolanda; Et Al
  参考文献:Organic Letters 日期:2001 卷标:3(20) 页码:3197-3200]
  
  373354-37-1 = 88-18-6 [标题:Reaction Conditions
  标题:Product Class: Monohydric Phenol,And Corresponding Phenolates - Synthesis By Rearrangement
  作者:Gonzalez-Bello,C.; Et Al
  参考文献:Science Of Synthesis 日期:2007 卷标:31 页码:319-330]
  
  373354-37-1 = 88-18-6 [标题:Reaction Conditions
  标题:Product Class 1: Monohydric Phenols And Corresponding Phenolates - Synthesis From Nonaromatic Precursors
  作者:Thomas,A. W.
  参考文献:Science Of Synthesis 日期:2007 卷标:31 页码:337-401]
  
  2944-48-1 = 88-18-6
  反应条件:1.1 Reagents: Diphenylphosphine,Potassium Tert-Butoxide Solvents: Dimethylformamide; 10 Min,Rt1.2 12 H,80 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 1 - 2
  标题:A Mild And Practical Method For Deprotection Of Aryl Methyl/benzyl/allyl Ethers With Hpph2 And Tbuok
  作者:Pan,Wenjing; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2021 卷标:19(35) 页码:7633-7640]
  
  676-58-4 + 346433-46-3 = 88-18-6
  反应条件:1.1 Solvents: Diethyl Ether1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:A Mild Anionic Method For Generating O-Quinone Methides: Facile Preparations Of Ortho-Functionalized Phenols
  作者:Jones,Ryan M.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2001 卷标:66(10) 页码:3435-3441]
  
  = 88-18-6
  反应条件:1.1 Solvents: Dimethyl Sulfoxide
  标题:Dioxygen Activation By An Organometallic Pd(Ii) Precursor: Formation Of A Pd(Iv)-Oh Complex And Its C-O Bond Formation Reactivity
  作者:Qu,Fengrui; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2014 卷标:50(23) 页码:3036-3039]
  
  98-06-6 = 88-18-6 [标题:Reaction Conditions
  标题:Oxygen Atoms By Microwave Discharge: Reaction With Arenes
  作者:Zadok,Elazar; Et Al
  参考文献:Angewandte Chemie 日期:1980 卷标:92(12) 页码:1037-8]
  
  98-06-6 = 88-18-6
  反应条件:1.1 Reagents: Boron Trifluoride,Hydrofluoric Acid,Hydrogen Peroxide
  标题:Oxyfunctionalization Of Hydrocarbons. 11. Hydroxylation Of Benzene And Alkylbenzenes With Hydrogen Peroxide In Hydrogen Fluoride/boron Trifluoride
  作者:Olah,George A.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1981 卷标:46(21) 页码:4305-6]
  
  100-67-4 = 88-18-6
  反应条件:1.1 Reagents: Phenol Solvents: Chloroform
  标题:Acidity Effect In The Regiochemical Control Of The Alkylation Of Phenol With Alkenes
  作者:Sartori,Giovanni; Et Al
  参考文献:Journal Of The Chemical Society 日期:1997 卷标:(3) 页码:257-260]
  
  = 88-18-6 [标题:Reaction Conditions
  标题:Catalysis By 12-Heteropolymolybdic Acid. Ii. Friedel-Crafts-Type Reaction Of Aromatic Compounds
  作者:Nomiya,Kenji; Et Al
  参考文献:Bulletin Of The Chemical Society Of Japan 日期:1980 卷标:53(7) 页码:2089-90]
  
  = 88-18-6 [标题:Reaction Conditions
  标题:Alkylation Of Phenols By Aluminum Alkoxides
  作者:Iyer,Padmini; Et Al
  参考文献:Indian Journal Of Chemistry 日期:1978 卷标:(4) 页码:321-2]
  
  = 88-18-6
  反应条件:1.1 Catalysts: 1-Butyl-3-Methylimidazolium Tosylate; 3 H,80 °C
  标题:Application Of Ionic Liquids As Recyclable Green Catalysts For Selective Alkylation Of Phenol
  作者:Amirfirouzkouhi,Hamideh; Et Al
  参考文献:Separation And Purification Technology 日期:2018 卷标:196 页码:132-139]
  
  = 88-18-6 [标题:Reaction Conditions
  标题:Alkylation Of Phenol With α-Methylstyrene,Propylene,Butenes,Isoamylene,1-Octene,And Diisobutylene: Heterogeneous Vs. Homogeneous Catalysts
  作者:Chaudhuri,Basab; Et Al
  参考文献:Industrial & Engineering Chemistry Research 日期:1991 卷标:30(1) 页码:227-31]
  
  10323-39-4 = 88-18-6
  反应条件:1.1 Solvents: Ethanol,Water
  标题:O-Tert-Butylphenol
  作者:Hart,Harold
  参考文献:Journal Of The American Chemical Society 日期:1949 卷标:71 页码:1966-7]
  
  = 88-18-6
  反应条件:1.1 Reagents: Diphenylphosphine,Potassium Tert-Butoxide Solvents: Dimethylformamide; 10 Min,Rt1.2 12 H,80 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 1 - 2
  标题:A Mild And Practical Method For Deprotection Of Aryl Methyl/benzyl/allyl Ethers With Hpph2 And Tbuok
  作者:Pan,Wenjing; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2021 卷标:19(35) 页码:7633-7640]
  
  1634-04-4 = 88-18-6
  反应条件:1.1 Catalysts: Phosphoric Acid Solvents: Toluene; Rt -> 100 °C; 50 - 60 Min,95 - 100 °C; 100 °C -> 125 °C; 3.5 H,120 - 125 °C; 125 °C -> 100 °C; 30 Min,100 °C
  标题:Improvement Of Synthesis Process Of Tbho
  作者:Xiong,De-Qin; Et Al
  参考文献:Huaxue Yu Nianhe 日期:2007 卷标:29(6) 页码:442-444]
  
  2089-03-4 = 88-18-6
  反应条件:1.1 Reagents: Diphenylphosphine,Potassium Tert-Butoxide Solvents: Dimethylformamide; 10 Min,Rt1.2 12 H,70 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 1 - 2
  标题:A Mild And Practical Method For Deprotection Of Aryl Methyl/benzyl/allyl Ethers With Hpph2 And Tbuok
  作者:Pan,Wenjing; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2021 卷标:19(35) 页码:7633-7640]
  
  128-39-2 = 88-18-6 [标题:Reaction Conditions
  标题:Thermal De-Tert-Butylation Of 2,6-Di-Tert-Butylphenol And Its Derivatives
  作者:Kun,O. B.; Et Al
  参考文献:Zhurnal Organicheskoi Khimii 日期:1984 卷标:20(12) 页码:2608-11]
  
  128-39-2 = 88-18-6 [标题:Reaction Conditions
  标题:Reaction Of Triphenylphosphine Dibromide With O-Tert-Butylphenols
  作者:Lee,Donald G.
  参考文献:Chemical Communications (London) 日期:1968 卷标:(23) 页码:1554-5]
  
  = 88-18-6
  反应条件:1.1 Reagents: Phenol,Gallium Salt (3:1)
  标题:Phenoxide Compounds. Iii. Tert-Butylation Of Phenols In The Presence Of Phenoxides
  作者:Berny,Marie F.
  参考文献:Bulletin De La Societe Chimique De France 日期:1969 卷标:(3) 页码:973-6]
  
  14874-70-5 + 594-19-4 = 88-18-6
  反应条件:1.1 Solvents: Diethyl Ether,Tetrahydrofuran1.2 Reagents: Water1.3 Reagents: Trimethylamine Oxide Solvents: Acetonitrile1.4 Reagents: Hydrochloric Acid Solvents: Diethyl Ether,Water
  标题:Studies On The Chemistry Of Manganese Tricarbonyl Cations Of Phenol And Cresols
  作者:Seo,Hwimin; Et Al
  参考文献:Organometallics 日期:2002 卷标:21(16) 页码:3417-3425]
  
  15460-12-5 = 88-18-6 [标题:Reaction Conditions
  标题:Studies On Selective Preparation Of Aromatic Compounds. Xii. The Selective Reductive Dehalogenation Of Some Halophenols With Zinc Powder In Basic And Acidic Media
  作者:Tashiro,Masashi; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1977 卷标:42(5) 页码:835-8]
  
  = 88-18-6
  反应条件:1.1 Reagents: Alumina,Silica Solvents: Dichloromethane
  标题:Silica Gel As An Effective Catalyst For The Alkylation Of Phenols And Some Heterocyclic Aromatic Compounds
  作者:Kamitori,Yasuhiro; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1984 卷标:49(22) 页码:4161-5

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

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
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