CAS: 823-76-7; 1-Cyclohexylethanone

• 英文名称1-Cyclohexylethanone
• 中文名称乙酰基环己烷
• IUPAC名称1-cyclohexylethan-1-one
• 其它别名环己基甲基酮; Cyclohexyl Methyl Ketone
• CAS编号823-76-7
• MFCD编号:MFCD00040418
• EINECS号:212-517-0
• FDA UNII编号:U53404H6B8
• 分子式:C8H14O
• 分子量:126.2
• 产品CID: 1814516
• 产品分类有机原料→分子砌块→脂肪环类化合物→环己烷类化合物

• 相似结构搜索
• 产品信息参考;
• InChIKey: RIFKADJTWUGDOV-UHFFFAOYSA-N
• InChI=1S/C8H14O/c1-7(9)8-5-3-2-4-6-8/h8H,2-6H2,1H3…
• 计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数1.0

相似化合物

物理性质

• 熔点-34 °C
• 沸点181-183 °C at 760 mmHg
• 闪点57°C
• 密度0.91
• PSA:17.07
• LogP:2.1557
• 折射率1.452
• 蒸汽压0.849 mmHg at 25 °C
• 溶解性Chloroform, Ethyl Acetate (Slightly)
• 敏感性1.常温常压下稳定，避免强氧化剂 碱接触。2.易燃，对眼睛及皮肤有刺激性，万一接触到眼睛，应立即用大量水冲洗后请医生诊治。接触皮肤后，应用大量指定的液体冲洗。
• 外观形态无色液体
• 储存条件2-8°C
• 产品应用该化合物用于医药中间体.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险等级3.2
• UN编号1993
• 危险品标志Xi
• 风险等级Irritant
• 包装等级III
• 安全声明26-36/37/39
• 危险类别码36/37/38

欧盟法规

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合成工艺路线路线简述

• 1193-81-3 = 823-76-7
  反应条件:1.1 Reagents: Periodic Acid (H5Io6) Catalysts: Ruthenium(1+),Bis(Acetonitrile)Bis(2,4-Pentanedionato-Ko2,Ko4)-,(Oc-6-21)-,He... (Silica-Supported) Solvents: Water; 3 H,27 °C
  标题:Immobilization Of Ru(Iii) Complex On Silica: A Heterogenized Catalyst For Selective Oxidation Of Alcohols In Water At Room Temperature
  作者:Ganesamoorthy,S.; Et Al
  参考文献:Tetrahedron Letters 日期:2013 卷标:54(51) 页码:7035-7039]
  
  1193-81-3 = 823-76-7
  反应条件:1.1 Reagents: Silica,Periodic Acid Catalysts: Potassium Bromide Solvents: Chloroform,Water; 8.5 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; Et Al
  参考文献:Journal Of Molecular Catalysis A: Chemical 日期:2007 卷标:265(1-2) 页码:272-275]
  
  931-48-6 = 823-76-7
  反应条件:1.1 Catalysts: Chloro[(Isocyano-Kc)Cyclohexane]Gold,Potassium Tetrakis(Pentafluorophenyl)Borate Solvents: Methanol,Water; 24 H,Rt
  标题:Hydration Of Alkynes At Room Temperature Catalyzed By Gold(I) Isocyanide Compounds
  作者:Xu,Yun; Et Al
  参考文献:Green Chemistry 日期:2015 卷标:17(1) 页码:532-537]
  
  932-66-1 = 823-76-7
  反应条件:1.1 Reagents: Phenylsilane Catalysts: Molybdenum Hexacarbonyl Solvents: Tetrahydrofuran
  标题:Silicon Hydrides And Molybdenum(0) Catalyst: A Novel Approach For Conjugate Reduction Of α,β-Unsaturated Carbonyl Compounds
  作者:Keinan,Ehud; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1987 卷标:52(12) 页码:2576-80]
  
  2863-48-1 = 823-76-7
  反应条件:1.1 Solvents: Tetrahydrofuran
  标题:Methylsulfinyl Carbanion. Formation And Application To Organic Synthesis
  作者:Corey,E. J.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:1965 卷标:87(6) 页码:1345-53]
  
  3483-39-4 = 823-76-7
  反应条件:1.1 Catalysts: Aluminum(1+),Bis(Tetrahydrofuran)[5,10,15,20-Tetrakis(4-Chlorophenyl)-21H,23H-P... Solvents: Tetrahydrofuran; 18 H,22 °C1.2 Reagents: Potassium Sodium Tartrate Solvents: Water; 18 H,22 °C
  标题:Meinwald-Type Rearrangement Of Monosubstituted Epoxides To Methyl Ketones Using An [al Porphyrin]+[co(Co)4]- Catalyst
  作者:Lamb,Jessica R.; Et Al
  参考文献:Organic Chemistry Frontiers 日期:2015 卷标:2(4) 页码:346-349]
  
  5913-13-3 = 823-76-7
  反应条件:1.1 Reagents: Pyridoxal 5′-Phosphate,1,3-Dimethoxy-2-Propanone Catalysts: Aminotransferase Solvents: Water; 48 H,Ph 7,30 °C
  标题:Enzymatic Racemization Of Amines Catalyzed By Enantiocomplementary ω-Transaminases
  作者:Koszelewski,Dominik; Et Al
  参考文献:Chemistry - A European Journal 日期:2011 卷标:17(1) 页码:378-383]
  
  = 823-76-7
  反应条件:1.1 Reagents: Tert-Butyllithium,Hydrogen Peroxide,(Dimethyl Sulfide)Trihydroboron Solvents: Water
  标题:Formation Of Carbon-Carbon And Carbon-Heteroatom Bonds Via Organoboranes And Organoborates
  作者:Negishi,Ei-Ichi; Et Al
  参考文献:Organic Reactions (Hoboken 日期:1985 卷标:33]
  
  98-89-5 + 917-54-4 = 823-76-7
  反应条件:1.1 Reagents: Lithium Hydride Solvents: 1,2-Dimethoxyethane; 10 Min,Rt; Rt -> Reflux; 2 H,Reflux; Reflux -> 10 °C1.2 Solvents: Diethyl Ether; 30 Min,Cooled; 2 H,Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; Rt
  标题:Steric And Electronically Biasing Substituent Effects On The Photoreversibility Of Novel 3'-,5'- And 3-Substituted Indolospirobenzopyrans. Thermal Evaluation Using 1H Nmr Spectroscopy And Overhauser Enhancement Studies
  作者:Roxburgh,Craig J.; Et Al
  参考文献:Dyes And Pigments 日期:2009 卷标:83(1) 页码:31-50]
  
  98-89-5 + 917-54-4 = 823-76-7
  反应条件:1.1 Reagents: Lithium Hydride Solvents: 1,2-Dimethoxyethane; 10 Min,Rt; 2 H,Rt -> Reflux1.2 Solvents: Diethyl Ether; Reflux -> 10 °C; 30 Min,10 °C1.3 Reagents: Hydrochloric Acid Solvents: Diethyl Ether,Water; 2 H,Rt
  标题:Photoreversible Zn2+ Ion Transportation Across An Interface Using Ion-Chelating Substituted Photochromic 3,3'-Indolospirobenzopyrans: Steric And Electronic Controlling Effects
  作者:Roxburgh,Craig J.; Et Al
  参考文献:European Journal Of Inorganic Chemistry 日期:2008 卷标:(31) 页码:4951-4960]
  
  917-54-4 + 10074-42-7 = 823-76-7
  反应条件:1.1 Solvents: Tetrahydrofuran1.2 Solvents: Tetrahydrofuran1.3 Reagents: Hydrochloric Acid Solvents: Water
  标题:One-Pot Synthesis Of Ketones And Aldehydes From Carbon Dioxide And Lithium Compounds
  作者:Zadel,Guido; Et Al
  参考文献:Angewandte Chemie 日期:1992 卷标:104(8) 页码:1070-1]
  
  695-12-5 = 823-76-7
  反应条件:1.1 Reagents: Cupric Chloride,Water,Oxygen Catalysts: Palladium (Clusters With Palladium Oxide And Acetate And Nitrate Ligands),Titania Solvents: Dimethylacetamide; 3 H,80 °C
  标题:Nanoscale Palladium Cluster Immobilized On A Tio2 Surface As An Efficient Catalyst For Liquid-Phase Wacker Oxidation Of Higher Terminal Olefins
  作者:Choi,Kwang-Min; Et Al
  参考文献:Chemistry Letters 日期:2003 卷标:32(2) 页码:180-181]
  
  695-12-5 = 823-76-7
  反应条件:1.1 Reagents: Tert-Butyl Hydroperoxide Catalysts: Palladium(2+),Bis(Acetonitrile)(7-Methyl-6-Phenylimidazo[1,2-A][1,8]Naphthyridi... Solvents: Acetonitrile; 24 H,70 °C
  标题:Electronic Asymmetry Of An Annelated Pyridyl-Mesoionic Carbene Scaffold: Application In Pd(Ii)-Catalyzed Wacker-Type Oxidation Of Olefins
  作者:Saha,Sayantani; Et Al
  参考文献:Acs Catalysis 日期:2020 卷标:10(19) 页码:11385-11393]
  
  695-12-5 = 823-76-7
  反应条件:1.1 Reagents: Cuprous Chloride,Oxygen Catalysts: Palladium Chloride Solvents: Dimethylformamide,Water
  标题:Silicon-Terminated Domino-Heck-Reaktions And Enantioselective Syntheses
  作者:Raschke,Thomas
  参考文献:1996]
  
  98-86-2 = 823-76-7
  反应条件:1.1 Reagents: Hydrogen Catalysts: Ruthenium1.2 Catalysts: Calcium Hydroxide,Copper Oxide (Cuo),Basic Copper Carbonate
  标题:Coordination Chemistry Of Novel Scorpionate Ligands Based On 3-Cyclohexylpyrazole And 3-Cyclohexyl-4-Bromopyrazole
  作者:Trofimenko,Swiatoslaw; Et Al
  参考文献:Inorganic Chemistry 日期:2002 卷标:41(7) 页码:1889-1896]
  
  119577-15-0 = 823-76-7
  反应条件:1.1 Reagents: Nickel Dichloride,Sodium Borohydride Solvents: Methanol; 45 Min,Rt1.2 Reagents: Methanol
  标题:Nickel Boride Mediated Cleavage Of 1,3-Oxathiolanes: A Convenient Approach To Deprotection And Reduction
  作者:Khurana,Jitender M.; Et Al
  参考文献:Monatshefte Fuer Chemie 日期:2016 卷标:147(6) 页码:1113-1116]
  
  155498-77-4 = 823-76-7
  反应条件:1.1 Reagents: 1,3-Dibromo-5,5-Diethyl-2,4,6(1H,3H,5H)-Pyrimidinetrione Solvents: Dichloromethane; 8.5 H,Rt
  标题:Mono- And Dibromo-5,5-Diethylbarbituric Acids For Cleavage Of Trimethylsilyl Ethers
  作者:Khazaei,Ardeshir; Et Al
  参考文献:Journal Of The Brazilian Chemical Society 日期:2007 卷标:18(1) 页码:239-242]
  
  = 823-76-7
  反应条件:1.1 Reagents: Methane,Tetrachloro-,Compd. With Aluminum Bromide (Albr3) (1:2) Solvents: Dibromomethane1.2 -1.3 -1.4 Reagents: Ethanol1.5 Reagents: Water
  标题:A New Efficient And Selective Synthesis Of Ketones From Alkanes Or Cycloalkanes,Co,And Silanes In The Presence Of Aprotic Superacids
  作者:Akhrem,I. S.; Et Al
  参考文献:Russian Chemical Bulletin (Translation Of Izvestiya Akademii Nauk 日期:1998 卷标:47(5) 页码:918-923]
  
  = 823-76-7
  反应条件:1.1 Catalysts: Sodium(1+),Bis(N,N-Dimethylformamide-Ko)(6,7,9,10,17,18,20,21-Octahydrodibenzo[... Solvents: Acetonitrile; 48 H,25 °C1.2 Reagents: Formaldehyde,Hydrochloric Acid Solvents: Tetrahydrofuran,Water; 1 H,25 °C
  标题:Decatungstate Catalyzed Photochemical Acetylation Of C(Sp3)-H Bonds
  作者:Liu,Qinglong; Et Al
  参考文献:Organic Letters 日期:2022 卷标:24(43) 页码:7983-7987]
  
  15681-48-8 + 2719-27-9 = 823-76-7
  反应条件:1.1 Solvents: Diethyl Ether
  标题:Methyl And N-Alkyl Ketones From Carboxylic Acid Chlorides And Organocopper Reagents
  作者:Posner,Gary H.; Et Al
  参考文献:Tetrahedron Letters 日期:1970 卷标:(53) 页码:4647-50]
  
  106353-55-3 = 823-76-7
  反应条件:1.1 Reagents: Acetic Acid Solvents: Water
  标题:Enamines. Part 44. 2-Acyl-1,1-Diamino-Ethenes. A New Source Of Methylketones,β-Keto Amides And β-Keto Esters
  作者:Armati,Antonella; Et Al
  参考文献:Synthesis 日期:1986 卷标:(7) 页码:573-6]
  
  1193-81-3 = 823-76-7
  反应条件:1.1 Reagents: Hydrogen Peroxide Catalysts: Tetracosa-μ-Oxoundecaoxo[μ12-[phosphato(3-)-Ko:Ko:Ko:Ko′:Ko′:Ko′:Ko′′:Ko′′:Ko′′:... (Supported On Dowex 22) Solvents: Water; 2 H,Reflux
  标题:Zinc Substituted Keggin-Type Polyoxometalate On Dowex: A Green Heterogeneous Catalyst For Oxidation Of Alcohols In Water
  作者:Aghayi,Mehdi; Et Al
  参考文献:Journal Of The Iranian Chemical Society 日期:2020 卷标:17(11) 页码:2895-2900]
  
  931-48-6 = 823-76-7
  反应条件:1.1 Catalysts: Potassium Tetrakis(Pentafluorophenyl)Borate,[1,3-Bis[2,6-Bis(1-Methylethyl)Phenyl]-1,3-Dihydro-2H-Imidazol-2-Ylidene]Chlorog... Solvents: Methanol,Water; 20 Min,25 °C
  标题:Room-Temperature Hydration Of Alkynes Catalyzed By Different Carbene Gold Complexes And Their Precursors
  作者:Xu,Yun; Et Al
  参考文献:Chemcatchem 日期:2016 卷标:8(1) 页码:262-267]
  
  931-48-6 = 823-76-7
  反应条件:1.1 Catalysts: [1,3-Bis[2,6-Bis(1-Methylethyl)Phenyl]-1,3-Dihydro-2H-Imidazol-2-Ylidene](1,1,1-... Solvents: Benzene-D6,Water; 250 Min,40 °C
  标题:Substrate Selectivity In The Alkyne Hydration Mediated By Nhc-Au(I) Controlled By Encapsulation Of The Catalyst Within A Hydrogen Bonded Hexameric Host
  作者:Cavarzan,Alessandra; Et Al
  参考文献:Catalysis Science & Technology 日期:2013 卷标:3(11) 页码:2898-2901]
  
  932-66-1 = 823-76-7
  反应条件:1.1 Reagents: Phenylsilane Catalysts: Molybdenum Hexacarbonyl Solvents: Tetrahydrofuran
  标题:Ionic And Organometallic-Catalyzed Organosilane Reductions
  作者:Larson,Gerald L.; Et Al
  参考文献:Organic Reactions (Hoboken 日期:2008 卷标:71 页码:1-737]
  
  932-66-1 = 823-76-7
  反应条件:1.1 Reagents: Sodium Hydroxide Catalysts: Glucose,Nadph,Glucose Dehydrogenase Solvents: Cyclohexane,Water,Polyethylene Glycol; 110 H,Ph 7.2,Rt
  标题:The Organic-Synthetic Potential Of Recombinant Ene Reductases: Substrate-Scope Evaluation And Process Optimization
  作者:Ress,Tina; Et Al
  参考文献:Chemcatchem 日期:2015 卷标:7(8) 页码:1302-1311]
  
  3483-39-4 = 823-76-7
  反应条件:1.1 Catalysts: [1,8-Bis[3-[(3,4-η)-3-Buten-1-Yl]-2,3-Dihydro-1H-Imidazol-1-Yl-Kc2]-3,6-Bis(1,1-... (With Libr And Licl) Solvents: Tetrahydrofuran,Benzene-D6; 5 H,Rt
  标题:Regio- And Chemoselective Rearrangement Of Terminal Epoxides Into Methyl Alkyl And Aryl Ketones
  作者:Tian,Yingying; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2018 卷标:54(80) 页码:11340-11343]
  
  2815-35-2 = 823-76-7 [标题:Reaction Conditions
  标题:Formation And Photochemical Rearrangement Of β-Oxosulfoxonium Ylides
  作者:Corey,E. J.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:1964 卷标:86(8) 页码:1640-1]
  
  2863-49-2 = 823-76-7 [标题:Reaction Conditions
  标题:Formation And Photochemical Rearrangement Of β-Oxosulfoxonium Ylides
  作者:Corey,E. J.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:1964 卷标:86(8) 页码:1640-1]
  
  98-89-5 + 917-54-4 = 823-76-7
  反应条件:1.1 Solvents: Diethyl Ether
  标题:Methyl Ketones From Carboxylic Acids: Cyclohexyl Methyl Ketone
  作者:Bare,Thomas M.; Et Al
  参考文献:Organic Syntheses 日期:1969 卷标:49 页码:81-5]
  
  98-86-2 = 823-76-7
  反应条件:1.1 Reagents: Hydrogen Catalysts: Butylamine (N-(Polystyrene)-N,N-Dibutyl-1-Butanaminium Chloride [hyperbranched Pol...),Ruthenium Solvents: Water; 1 H,30 Atm,30 °C
  标题:Transition Metal Nanoparticles Stabilized By Ammonium Salts Of Hyperbranched Polystyrene: Effect Of Metals On Catalysis Of The Biphasic Hydrogenation Of Alkenes And Arenes
  作者:Gao,Lei; Et Al
  参考文献:Tetrahedron 日期:2015 卷标:71(37) 页码:6414-6423]
  
  98-86-2 = 823-76-7 [标题:Reaction Conditions
  标题:Exceedingly Mild,Selective And Stereospecific Phase-Transfer-Catalyzed Hydrogenation Of Arenes
  作者:Januszkiewicz,Krzysztof R.; Et Al
  参考文献:Organometallics 日期:1983 卷标:2(8) 页码:1055-7

海关参考信息

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