CAS: 96-22-0; Pentan-3-One

• ⚠️危险化学品目录(2015年版) 易燃液体,类别2
• 英文名称Pentan-3-One
• 中文名称二乙基酮
• IUPAC名称pentan-3-one
• 其它别名Diethyl ketone
• CAS编号96-22-0
• MFCD编号:MFCD00009320
• EINECS号:202-490-3
• FDA UNII编号:9SLZ98M9NK
• 分子式:C5H10O
• 分子量:86.1323
• 产品CID: 2016694
• 产品分类化学试剂 → 有机试剂 → 脂肪酮(含烯醇)

• 相似结构搜索
• InChIKey: FDPIMTJIUBPUKL-UHFFFAOYSA-N
• InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3…
• 计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数2.0

物理性质

• 熔点-40 °C
• 沸点101.0±3.0 °C at 760 mmHg
• 闪点12.8±0.0 °C
• 密度0.8±0.1 g/cm3
• PH:6.2 (50g/l, H2O, 20°C)
• PSA:17.07
• LogP:0.9
• 折射率1.383
• 蒸汽压35.8±0.2 mmHg at 25°C
• 溶解性Water: Slightly Soluble
• 敏感性1.稳定性 稳定2.禁配物 强氧化剂、强还原剂、强碱3.聚合危害 不聚合
• 外观形态透明无色液体
• 储存条件存储低于 +30°C.
• 产品应用用于医药,有机合成.
• 性质描述无色液体,具有丙酮气味.熔点-42°C,沸点101.7°C,相对密度0.8136(20/4°C),折射率1.3927,闪点12°C.溶于乙醇,乙醚,水.

MSDS等安全信息

• GHS象形图
• GHS符号GHS02 & GHS07;
  注释: Flame & Exclamation mark
• 危险类别易燃液体 类别2
  特定目标器官毒性 - 单次接触 类别3
  严重眼刺激 类别2
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2A
• 警示词Danger(危险)
• 危险描述H225 |高度易燃液体和蒸气.
  H335 |可能引起呼吸道刺激.
  H336 |可能引起嗜睡或头晕.
  H319 |造成严重眼刺激.
  H315 |造成皮肤刺激.
• 防范说明P210-P233-P240-P241-P242-P305+P351+P338
• 危险等级3
• UN编号1156.0
• 危险品标志F,Xi
• 包装等级II
• 安全声明9-16-25-33
• 危险类别码11-37-66-67
• WGK Germany1

欧盟法规

上下游产品

合成工艺路线路线简述

• 616-25-1 = 96-22-0
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Chloroform-D; 8 H,Rt
  标题:Controlling Surface Ligand Density And Core Size Of Alkanethiolate-Capped Pd Nanoparticles And Their Effects On Catalysis
  作者:Gavia,Diego J.; Shon,Young-Seok
  参考文献:Langmuir 日期:2012 卷标:28(40) 页码:14502-14508]
  
  584-02-1 = 96-22-0
  反应条件:1.1 Reagents: Cerium Sulfate (Ce2(So4)3),Barium Bromate Solvents: Acetonitrile,Water; 3.3 H,Reflux
  标题:Cerium(Iii) Bromate As A New Reagent In Oxidation Of Organic Compounds
  作者:Shaabani,Ahmad; Lee,Donald G.
  参考文献:Synthetic Communications 日期:2003 卷标:33(11) 页码:1845-1854]
  
  1629-58-9 = 96-22-0
  反应条件:1.1 Solvents: Water; Ph 6.5,25 °C
  标题:Nadph-Dependent Enone Reductase From Kluyveromyces Lactis And Use In Enzymic Synthesis Of Saturated Ketones From α,β-Unsaturated Ketones
  参考文献:Japan]
  
  125425-97-0 = 96-22-0
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Oxide (Pdo) Solvents: Tetrahydrofuran
  标题:1,5-Dihydro-3H-2,4-Benzodioxepine As A Novel Carbonyl Protecting Group
  作者:Machinaga,Nobuo; Kibayashi,Chihiro
  参考文献:Tetrahedron Letters 日期:1989 卷标:30(31) 页码:4165-8]
  
  616-25-1 = 96-22-0
  反应条件:1.1 Catalysts: 2135863-90-8 Solvents: Water; 5 Min,80 °C
  标题:Mononuclear Ruthenium And Osmium Complexes With A Bicyclic Guanidinate Ligand: Synthesis And Catalytic Behavior In Olefin Isomerization Processes
  作者:Gamez-Rivera,Sebastian A.; Francos,Javier; Borge,Javier; Cadierno,Victorio
  参考文献:European Journal Of Inorganic Chemistry 日期:2017 卷标:2017(35) 页码:4138-4146]
  
  616-25-1 = 96-22-0
  反应条件:1.1 Catalysts: [n′-(4-Bromophenyl)-N,N′′-Bis(1-Methylethyl)Guanidinato-Kn,Kn′′]Chloro[(1,2,3,4,... Solvents: Tetrahydrofuran; 20 Min,80 °C
  标题:Ruthenium(Ii) Arene Complexes With Asymmetrical Guanidinate Ligands: Synthesis,Characterization,And Application In The Base-Free Catalytic Isomerization Of Allylic Alcohols
  作者:Garcia-Alvarez,Rocio; Suarez,Francisco J.; Diez,Josefina; Crochet,Pascale; Cadierno,Victorio; Et Al
  参考文献:Organometallics 日期:2012 卷标:31(23) 页码:8301-8311]
  
  616-25-1 = 96-22-0
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Ruthenium(1+),(η6-Benzene)Dichloro(1-Methyl-3,5-Diaza-1-Azonia-7-Phosphatricycl... Solvents: Tetrahydrofuran; 45 Min,75 °C
  标题:Catalytic Isomerization Of Allylic Alcohols Promoted By Complexes [rucl2(η6-Arene)(Pta-Me)] Under Homogeneous Conditions And Supported On Montmorillonite K-10
  作者:Menendez-Rodriguez,Lucia; Crochet,Pascale; Cadierno,Victorio
  参考文献:Journal Of Molecular Catalysis A: Chemical 日期:2013 卷标:366 页码:390-399]
  
  584-02-1 = 96-22-0
  反应条件:1.1 Reagents: Lithium Bromide,Hydrogen Peroxide,Cerium Nitrate,Ce(No3)3,Hexahydrate Solvents: Acetonitrile,Water; 65 - 70 °C; Cooled
  标题:Oxidation Of Alkanols With A Ceiii-Libr-H2O2 System
  作者:Nikishin,G. I.; Sokova,L. L.; Kapustina,N. I.
  参考文献:Russian Chemical Bulletin 日期:2009 卷标:58(11) 页码:2402-2403]
  
  616-25-1 = 96-22-0
  反应条件:1.1 Catalysts: Osmium(1+),Bis(Acetonitrile)[(1,2,3,4,5-η)-1-[2-(Methylamino-Kn)Ethyl]-2,4-Cycl... Solvents: Thf-D8; 92 Min,60 °C
  标题:Redox Isomerization Of Allylic Alcohols Catalyzed By Osmium And Ruthenium Complexes Containing A Cyclopentadienyl Ligand With A Pendant Amine Or Phosphoramidite Group: X-Ray Structure Of An η3-1-Hydroxyallyl-Metal-Hydride Intermediate
  作者:Batuecas,Maria; Esteruelas,Miguel A.; Garcia-Yebra,Cristina; Onate,Enrique
  参考文献:Organometallics 日期:2010 卷标:29(9) 页码:2166-2175]
  
  584-02-1 = 96-22-0
  反应条件:1.1 Reagents: Silica,Periodic Acid Catalysts: Potassium Bromide Solvents: Chloroform,Water; 6 H,Rt
  标题:A Catalytic And Transition Metal-Free Method For The Chemoselective Oxidation Of Alcohols To Their Corresponding Carbonyl Compounds Using Periodic Acid Or Iodic Acid In The Presence Of A Catalytic Amount Of Kbr
  作者:Zolfigol,Mohammad Ali; Shirini,Farhad; Chehardoli,Gholamabbas; Kolvari,Eskandar
  参考文献:Journal Of Molecular Catalysis A: Chemical 日期:2007 卷标:265(1-2) 页码:272-275]
  
  616-25-1 = 96-22-0
  反应条件:1.1 Catalysts: Cesium Carbonate,Di-μ-Chlorodichlorobis[(1,2,3,6,7,8-η)-2,7-Dimethyl-2,6-Octadiene-1,8-Diyl]Dirut... Solvents: Water; 15 Min,75 °C
  标题:Bis(Allyl)-Ruthenium(Iv) Complexes As Highly Efficient Catalysts For The Redox Isomerization Of Allylic Alcohols Into Carbonyl Compounds In Organic And Aqueous Media: Scope,Limitations,And Theoretical Analysis Of The Mechanism
  作者:Cadierno,Victorio; Garcia-Garrido,Sergio E.; Gimeno,Jose; Varela-Alvarez,Adrian; Sordo,Jose A.
  参考文献:Journal Of The American Chemical Society 日期:2006 卷标:128(4) 页码:1360-1370]
  
  616-25-1 = 96-22-0
  反应条件:1.1 Catalysts: Cesium Carbonate,Ruthenium,Dichloro[(1,2,3,4,5,6-η)-1-Methyl-4-(1-Methylethyl)Benzene][(Phosphin... Solvents: Heptane,Water; Rt; 30 Min,75 °C
  标题:Water-Soluble Ruthenium(Ii) Catalysts [rucl2(η6-Arene){p(Ch2Oh)3}] For Isomerization Of Allylic Alcohols And Alkyne Hydration
  作者:Cadierno,Victorio; Crochet,Pascale; Garcia-Garrido,Sergio E.; Gimeno,Jose
  参考文献:Dalton Transactions 日期:2004 卷标:(21) 页码:3635-3641]
  
  616-25-1 = 96-22-0
  反应条件:1.1 Catalysts: Cesium Carbonate,Dichloro[(1,2,3,6,7,10,11,12-η)-2,6,10-Dodecatriene-1,12-Diyl]Ruthenium Solvents: Water; 15 Min,75 °C
  标题:Dichloro(Dodeca-2,6,10-Triene-1,12-Diyl)Ruthenium(Iv): A Highly Efficient Catalyst For The Isomerization Of Allylic Alcohols Into Carbonyl Compounds In Organic And Aqueous Media
  作者:Cadierno,Victorio; Garcia-Garrido,Sergio E.; Gimeno,Jose
  参考文献:Chemical Communications (Cambridge 日期:2004 卷标:(2) 页码:232-233]
  
  584-02-1 = 96-22-0
  反应条件:1.1 Reagents: 1,1,3,3-Tetramethylguanidine Catalysts: Bismuthonium,Triphenyl(2,4,6-Trimethylphenyl)-,Tetrafluoroborate(1-) (1:1) Solvents: Toluene-D8; 3 H,Rt
  标题:Selective Oxidation Of Alcohols With Bismuthonium Salts Under Mild Conditions
  参考文献:Japan]
  
  584-02-1 = 96-22-0
  反应条件:1.1 Catalysts: 2306758-01-8 Solvents: Acetonitrile-D3; 8 H,Rt
  标题:Efficient Acceptorless Photo-Dehydrogenation Of Alcohols And N-Heterocycles With Binuclear Platinum(Ii) Diphosphite Complexes
  作者:Zhong,Jian-Ji; To,Wai-Pong; Liu,Yungen; Lu,Wei; Che,Chi-Ming
  参考文献:Chemical Science 日期:2019 卷标:10(18) 页码:4883-4889]
  
  616-25-1 = 96-22-0
  反应条件:1.1 Reagents: Sodium Methoxide Catalysts: Chloro[(1,2,5,6-η)-1,5-Cyclooctadiene][1-[[(1,1-Dimethylethyl)Thio]Methyl]-2-(Di... Solvents: Isopropanol; 45 H,Rt
  标题:Catalytic Redox Isomerization Of Allylic Alcohols With Rhodium And Iridium Complexes With Ferrocene Phosphine-Thioether Ligands
  作者:Titova,Ekaterina M.; Rahaman,S. M. Wahidur; Shubina,Elena S.; Poli,Rinaldo; Belkova,Natalia V.; Et Al
  参考文献:Journal Of Molecular Catalysis A: Chemical 日期:2017 卷标:426 页码:376-380]
  
  616-25-1 = 96-22-0
  反应条件:1.1 Catalysts: Ruthenium Hydroxide (Alumina-Supported) Solvents: Toluene; 3 H,1 Atm,90 °C
  标题:Ruthenium Hydroxide
  作者:Bhattarai,Deepak; Lee,Ju-Hyeon; Keum,Gyochang
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2013 卷标:1 页码:1-6]
  
  616-25-1 = 96-22-0
  反应条件:1.1 Catalysts: Bis[(1,2,3,4,5-η)-3-[[bis(1-Methylethyl)Amino][(Diphenylphosphino-Kp)Imino]Methy... Solvents: Tetrahydrofuran; 20 Min,80 °C
  标题:Tethered η5-Oxocyclohexadienyl Piano-Stool Ruthenium(Ii) Complexes: A New Class Of Catalysts?
  作者:Kechaou-Perrot,Manel; Vendier,Laure; Bastin,Stephanie; Sotiropoulos,Jean-Marc; Miqueu,Karinne; Et Al
  参考文献:Organometallics 日期:2014 卷标:33(22) 页码:6294-6297

海关参考信息

• 2912110000-甲醛
  2912120000-乙醛
  2914110000-丙酮
  2914120000-丁酮
• 💡 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

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