CAS: 80-46-6; 4-Tert-Amylphenol

• 英文名称4-Tert-Amylphenol
• 中文名称对叔戊基苯酚
• IUPAC名称4-(tert-pentyl)phenol
• 其它别名4-Tert-Amylphenol ; 80-46-6 ; 4-Tert-Pentylphenol ; P-Tert-Pentylphenol ; P-Tert-Amylphenol ; 4-T-Amylphenol ; Pentaphen ; 4-(1,1-Dimethylpropyl)Phenol ; 4-(2-Methylbutan-2-yl)Phenol ; Amilphenol ; Amilfenol ; Ptap ; Phenol, 4-(1,1-Dimethylpropyl)- ; Amyl Phenol 4T ; Phenol, P-Tert-
• CAS编号80-46-6
• MFCD编号:MFCD00002369
• EINECS号:201-280-9
• FDA UNII编号:6NP9LYK846
• 分子式:C11H16O
• 分子量:164.24
• 产品CID: 1800012
• 产品分类化学试剂 → 有机试剂

• 相似结构搜索
• InChIKey: NRZWYNLTFLDQQX-UHFFFAOYSA-N
• InChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3…
• 计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数2.0

物理性质

• 熔点88-89  °C(文献)
• 沸点262.5±0.0 °C at 760 mmHg
• 闪点122.4±8.2 °C
• 密度1.0±0.1 g/cm3
• pKa:10.24±0.26(预测)
• PSA:20.23
• LogP:3.7
• 折射率1.510
• 蒸汽压0.0±0.5 mmHg at 25°C
• 溶解性H2O:不溶
• 敏感性1. 存在于主流烟气中。2. 有腐蚀性，污染环境，大鼠口服为LD503.08g/kg。
• 外观形态白色少许针状的晶体
• 储存条件本品应密封保存于阴凉处保存。
• 产品应用用于有机合成.
• 性质描述白色针状结晶.熔点94-95°C,沸点262.5°C,相对密度0.962(20/4°C).溶于醇,醚,苯及氯仿,不溶于水.

MSDS等安全信息

• GHS象形图
• GHS符号GHS05 & GHS07 & GHS09;
  注释: Corrosion & Exclamation mark & Environment
• 危险类别皮肤腐蚀 类别1B
  严重眼损伤 类别1
  皮肤致敏 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4(经口)
  皮肤致敏 类别1B
  水生慢性毒性 类别2
  ED ENV 1
  皮肤腐蚀 类别1A
  水生急性毒性 类别1
  急性毒性 类别4(吸入)
  特定目标器官毒性 - 单次接触 类别3
• 警示词Danger(危险)
• 危险描述H314 |造成严重皮肤灼伤和眼损伤.
  H318 |造成严重眼损伤.
  H317 |可能引起皮肤过敏反应.
  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.
  H302 |吞咽有害.
  H411 |对水生生物有毒并具有长期持续影响.
  EUH430 |May cause endocrine disruption in the environment
  H400 |对水生生物毒性极大.
  H332 |吸入有害.
  H335 |可能引起呼吸道刺激.
• 防范说明P260-P273-P280-P301+P312-P303+P361+P353-P305+P351+P338
• UN编号2430.0
• 危险品标志C:Corrosive;N:Dangerousfortheenvironment;
• 安全声明S26-S27-S36/37/39-S45-S61
• 危险类别码R51/53,R21/22,R34
• 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 4-Tert-Amylphenol 主要起始原料 Benzene, 1-(1,1-Dimethylpropyl)-4-(2-Propen-1-Yloxy)-
• 81634-59-5 = 80-46-6
  反应条件:1.1 Catalysts: Alumina,Aluminum Chloride; 3 Min
  标题:Ecofriendly Solvent Free Microwave Induced Organic Rearrangements Of Alkyl Phenyl Ethers In Dry Media Conditions
  作者:Easwaramurthy,M.; Et Al
  参考文献:Organic Chemistry: An Indian Journal 日期:2006 卷标:2(5-6) 页码:127-130]
  
  = 80-46-6
  反应条件:1.1 Catalysts: Benzenesulfonic Acid; Rt; Rt -> 120 °C; 2 H,120 °C; 1 H,120 °C; Cooled1.2 Reagents: Potassium Carbonate Solvents: Benzene; Neutralized
  标题:Alkylation Of Phenol With Tert.-Amyl Alcohol
  作者:Saha,Manoranjan; Et Al
  参考文献:Bangladesh Journal Of Scientific And Industrial Research 日期:2005 卷标:40(3-4) 页码:291-296]
  
  = 80-46-6
  反应条件:1.1 Catalysts: Hydrochloric Acid,Iron Chloride (Fecl3) Solvents: 1,2-Dichloroethane,Water; 24 H,50 °C
  标题:Synergistic Bronsted/lewis Acid Catalyzed Aromatic Alkylation With Unactivated Tertiary Alcohols Or Di-Tert-Butylperoxide To Synthesize Quaternary Carbon Centers
  作者:Pan,Aaron; Et Al
  参考文献:Chemrxiv 日期:2021 卷标:1 页码:1-9]
  
  = 80-46-6
  反应条件:1.1 Reagents: Sulfuric Acid
  标题:Preparation Of 2-Methyl-2-(4-Hydroxyphenyl)Butane
  参考文献:Poland]
  
  261618-80-8 = 80-46-6
  反应条件:1.1 Reagents: Butyllithium Solvents: Pentane1.2 Reagents: Hydrochloric Acid1.3 Solvents: Water1.4 Solvents: Ethyl Acetate
  标题:Facile O-Deallylation Of Allyl Ethers Via Sn2' Reaction With Tert-Butyllithium
  作者:Bailey,William F.; Et Al
  参考文献:Organic Letters 日期:2000 卷标:2(4) 页码:489-491]
  
  261618-80-8 = 80-46-6
  反应条件:1.1 Catalysts: Nickel(1+),Hydrotetrakis(Trimethylphosphine)-,Salt With 1,1,1-Trifluoro-N-[(Tr... Solvents: Tetrahydrofuran; 30 Min,Rt1.2 Catalysts: P-Toluenesulfonic Acid; 6 H,Rt -> 60 °C1.3 Reagents: Ethyl Acetate Solvents: Water
  标题:Nickel Hydride Catalyzed Cleavage Of Allyl Ethers Induced By Isomerization
  作者:Kathe,Prasad M.; Et Al
  参考文献:Synlett 日期:2021 卷标:32(16) 页码:1629-1632]
  
  507-36-8 = 80-46-6
  反应条件:1.1 Solvents: 1,1,1,3,3,3-Hexafluoro-2-Propanol; 10 H,Rt
  标题:Hfip-Promoted Para-Selective Alkylation Of Anilines And Phenols With Tertiary Alkyl Bromides
  作者:Huang,Pengcheng; Et Al
  参考文献:Organic Chemistry Frontiers 日期:2023 卷标:10(10) 页码:2476-2481]
  
  = 80-46-6
  反应条件:1.1 Catalysts: Hydrochloric Acid,Iron Chloride (Fecl3) Solvents: 1,2-Dichloroethane,Water; 24 H,50 °C
  标题:Synergistic Bronsted/lewis Acid Catalyzed Aromatic Alkylation With Unactivated Tertiary Alcohols Or Di-Tert-Butylperoxide To Synthesize Quaternary Carbon Centers
  作者:Pan,Aaron; Et Al
  参考文献:Chemical Science 日期:2022 卷标:13(12) 页码:3539-3548]
  
  66107-29-7 = 80-46-6
  反应条件:1.1 Reagents: Sodium Isopropoxide Catalysts: Bis(1,5-Cyclooctadiene)Nickel,7H-Acenaphth[1,2-D]Imidazolium,9-[2,6-Bis(Diphenylmethyl)-4-Methylphenyl]-7-[2,... Solvents: Cyclohexane; 30 Min,Rt1.2 12 H,Rt1.3 Reagents: Boron Tribromide Solvents: Dichloromethane; 0 °C; Overnight,Rt1.4 Reagents: Ethanol
  标题:Divergent And Selective Light Alkene Cross-Coupling
  作者:Wang,Zi-Chao; Et Al
  参考文献:Angewandte Chemie 日期:2023 卷标:62(45)]
  
  = 80-46-6 [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]
  
  = 80-46-6
  反应条件:1.1 Reagents: Trifluoroacetic Acid,Anisole,Trimethylsilyl Triflate Solvents: Dichloromethane; 22 °C
  标题:Trimethylsilyl Trifluoromethanesulfonate
  作者:Sweeney,Joseph; Et Al
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2001]
  
  = 80-46-6 [标题:Reaction Conditions
  标题:4-Tert-Amylphenol And 2,4-Di-Tert-Amylphenol
  参考文献:Japan]
  
  2050-03-5 = 80-46-6
  反应条件:1.1 Reagents: Boron Tribromide Solvents: Dichloromethane; 0 °C; Overnight,Rt1.2 Reagents: Ethanol
  标题:Divergent And Selective Light Alkene Cross-Coupling
  作者:Wang,Zi-Chao; Et Al
  参考文献:Angewandte Chemie 日期:2023 卷标:62(45)]
  
  = 80-46-6 + 3279-27-4
  反应条件:1.1 Catalysts: Zirconium Oxychloride (Reaction Products With Chlorosulfonic Acid); Rt -> 140 °C; 1 H,139 - 141 °C
  标题:Zirconia-Modified Superacid Udcat-5. An Efficient And Versatile Catalyst For Alkylation Reactions Under Solvent-Free Conditions
  作者:Yadav,Ganapati D.; Et Al
  参考文献:Synthetic Communications 日期:2008 卷标:38(15) 页码:2684-2691

海关参考信息

• 2902600000-乙苯
  2902700000-异丙基苯
  2908199090-其他酚的卤化衍生物
  2908999090-其他酚的硝化衍生物
• 💡 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

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• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
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