CAS: 89-72-5; 2-Sec-Butylphenol

• 英文名称2-Sec-Butylphenol
• 中文名称2-仲丁基苯酚
• IUPAC名称2-(sec-butyl)phenol
• 其它别名Phenol,o-sec-butyl- (7CI,8CI); (?à)-2-sec-Butylphenol; 2-(1-Methylpropyl)phenol; 2-(2-Butyl)phenol; 2-sec-Butylphenol; o-sec-Butylphenol
• CAS编号89-72-5
• MFCD编号:MFCD00002225
• EINECS号:201-933-8
• 分子式:C10H14O
• 分子量:150.22
• 产品CID: 1918978
• 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: NGFPWHGISWUQOI-UHFFFAOYNA-N
• InChI=1/C10H14O/c1-3-8(2)9-6-4-5-7-10(9)11/h4-8,11H,3H2,1-2H3…
• 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12 °C
• 沸点227.5°C at 760 mmHg
• 闪点112.22°C
• 密度0.982 g/mL at 25 °C(文献)
• pKa:10.36±0.35(预测)
• PSA:20.23
• LogP:2.9057
• 折射率n20/D 1.522(文献)
• 蒸汽压0.03 mm Hg ( 20 °C)
• 溶解性Insoluble. <0.1 G/100 Ml At 20 °c
• 敏感性Stable, but air sensitive. Incompatible with acid chlorides, acid anhydrides, bases, strong oxidizing agents, copper and its alloys, brass.
• 外观形态白色至淡黄色液体
• 储存条件室温, 氮气保护
• 产品应用用于合成农药／仲丁威(巴沙)及某些医药产品
• 性质描述密度0.9907g/ml,熔点16.07°C,沸点227～238°C(2.13～2.8千帕),折射率1.5182,闪点112°C,在水中的溶解度为0.3克／100克水

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS05;
  注释: Exclamation mark & Corrosion
• 危险类别急性毒性 类别4(吸入)
  急性毒性 类别4(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 类别1C
  水生慢性毒性 类别3
  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H332 |吸入有害.
  H312 |皮肤接触有害.
  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.
  H412 |对水生生物有害并具有长期持续影响.
  H335 |可能引起呼吸道刺激.
• 防范说明P260-P264-P270-P273-P280-P301+P330+P331-P304+P340-P330-P363-P405-P501
• 危险等级8
• UN编号3145.0
• 危险品标志C
• 包装等级Ⅲ
• 安全声明26-27-28-36/37/39-45
• 危险类别码20/21/22-34-22
• WGK Germany2

欧盟法规

上下游产品

合成工艺路线路线简述

• 624-64-6 + 590-18-1 = 89-72-5
  反应条件:1.1 Catalysts: Phenol,3-Methyl-,Aluminum Salt (3:1); 1.5 H,0.3 Mpa,100 °C1.2 2.5 H,180 °C
  标题:Method For Preparing Ortho-Sec-Butylphenol From Mixed Butylene And Phenol
  参考文献:China]
  
  = 89-72-5 [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; Sharma,Man Mohan
  参考文献:Industrial & Engineering Chemistry Research 日期:1991 卷标:30(1) 页码:227-31]
  
  = 89-72-5
  反应条件:1.1 Reagents: Phosphoric Acid
  标题:Aqueous High-Temperature Chemistry Of Carbo- And Heterocycles. 10. Aquathermolysis Of Acyclic And Cyclic Phenol Ethers In The Presence Of Sodium Bisulfite Or Phosphoric Acid
  作者:Katritzky,Alan R.; Murugan,Ramiah; Balasubramanian,Marudai; Siskin,Michael
  参考文献:Energy & Fuels 日期:1990 卷标:4(5) 页码:543-6]
  
  = 89-72-5 [标题:Reaction Conditions
  标题:Preparation Of O-Sec-Butylphenol
  参考文献:Ussr]
  
  9005-53-2 = 89-72-5 + 2944-49-2 + 2082-61-3 + 1123-94-0 + 1197-34-8 + 620-14-4 + 2039-89-6 + 3520-52-3 + 4920-99-4 + 1074-17-5 + 3180-09-4 + 698-71-5 + 119-64-2 + 644-35-9 + 2049-95-8 + 1321-94-4 + 1470-94-6
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium; 1 H,350 °C; 4 H,350 °C
  标题:Catalytic Hydrotreatment Of Pyrolytic Lignins From Different Sources To Biobased Chemicals: Identification Of Feed-Product Relations
  作者:Figueiredo,M. B.; Deuss,P. J.; Venderbosch,R. H.; Heeres,H. J.
  参考文献:Biomass And Bioenergy 日期:2020 卷标:134]
  
  = 89-72-5
  反应条件:1.1 Reagents: Lithium Aluminum Hydride Solvents: Diethyl Ether
  标题:Studies In Stereochemistry. Xv. Effect Of Configuration On Steric Inhibition Of Resonance In Diastereomerically Related Compounds
  作者:Hawthorne,Fred; Cram,Donald J.
  参考文献:Journal Of The American Chemical Society 日期:1952 卷标:74 页码:5859-66]
  
  = 89-72-5
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water; 15 Min,85 °C; 85 °C -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Neutralized
  标题:A New Disposable Electrochemical Sensor For The Individual And Simultaneous Determination Of Carbamate Pesticides Using A Nanocomposite Modified Screen-Printed Electrode
  作者:Kunpatee,Kanjana; Kaewdorn,Kannika; Duangtong,Jatuporn; Chaiyo,Sudkate; Chailapakul,Orawon; Et Al
  参考文献:Microchemical Journal 日期:2022 卷标:177]
  
  = 89-72-5
  反应条件:1.1 Reagents: Phosphoric Acid; 18 H,100 °C
  标题:Direct Intramolecular C(Sp3)-H Bond Sulfonamidation To Synthesize Benzosultam Derivatives Under Metal-Free Conditions
  作者:Zhang,He; Sun,Meng-Chan; Yin,Li-Ming; Wei,Donghui; Song,Mao-Ping; Et Al
  参考文献:Organic Chemistry Frontiers 日期:2021 卷标:8(24) 页码:6888-6894]
  
  = 89-72-5 [标题:Reaction Conditions
  标题:Investigation Of Butylphenols By Chromatographic And Spectral Methods
  作者:Papazova,D.; Kovacheva,K.; Tsutsulova,A.; Vicheva,G.; Tsvetkova,N.
  参考文献:Izvestiya Po Khimiya 日期:1990 卷标:23(1) 页码:128-35]
  
  = 89-72-5 [标题:Reaction Conditions
  标题:O-Alkylphenols
  参考文献:European Patent Organization]
  
  = 89-72-5 [标题:Reaction Conditions
  标题:Microbial Metabolism Of N-Methylcarbamate Insecticde. I. Metabolism Of O-Sec-Butylphenyl N-Methylcarbamate By Aspergillus Niger Van Tieghem
  作者:Suzuki,Takashi; Takeda,Mitsuharu
  参考文献:Chemical & Pharmaceutical Bulletin 日期:1976 卷标:24(9) 页码:1967-75

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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• ➥ REACH监管