CAS: 89-80-5; Rel-(2S,5R)-5-Methyl-2-(1-Methylethyl)-Cyclohexanone

• 英文名称Rel-(2S,5R)-5-Methyl-2-(1-Methylethyl)-Cyclohexanone
• 中文名称(±)-薄荷酮
• IUPAC名称(2S,5R)-2-isopropyl-5-methylcyclohexan-1-one
• 其它别名P-Menthan-3-One; (±)-Trans-P-Menthan-3-One; Cyclohexanone, 5-Methyl-2-(1-Methylethyl)-, Trans-; P-Menthan-3-One, Trans-; P-Menthone; Trans-Menthan-3-One; Trans-Menthone; Trans-P-Menthan-3-One
• CAS编号89-80-5
• MFCD编号:MFCD00062998
• EINECS号:201-941-1
• 分子式:C10H18O
• 分子量:154.25
• 产品CID: 1919846
• 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
• InChIKey: NFLGAXVYCFJBMK-BRJQIKQINA-N
• InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1…
• 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147-148 °C
• 沸点205.0±0.0 °C at 760 mmHg
• 闪点72.8±0.0 °C
• 密度0.9±0.1 g/cm3
• PSA:17.07
• LogP:2.6477
• 折射率1.443
• 蒸汽压0.3±0.4 mmHg at 25°C
• 溶解性Chloroform (Sparingly), Methanol (Sparingly)
• 敏感性1. 存在于烟叶、烟气中。2. 天然存在于欧洲薄荷油、亚洲薄荷油及其他许多精油里。3. 薄荷酮除了存在旋光异构体外，还存在于顺反立体异构体。通常将反式体称为薄荷酮，而顺式体则称为异薄荷酮。
• 外观形态无色油状物
• 储存条件冰箱

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别急性毒性 类别4(经口)
  易燃液体 类别3
  水生慢性毒性 类别3
  皮肤腐蚀/刺激 类别2
  皮肤致敏 类别1
  皮肤致敏 类别1B
  急性毒性 类别4(吸入)
  致癌性 类别2
  严重眼刺激 类别2
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
  H226 |易燃液体和蒸气.
  H412 |对水生生物有害并具有长期持续影响.
  H315 |造成皮肤刺激.
  H317 |可能引起皮肤过敏反应.
  H332 |吸入有害.
  H351 |怀疑致癌.
  H319 |造成严重眼刺激.
• 防范说明P261-P264-P270-P272-P280-P302+P352-P330-P363-P501
• 危险品标志Xn
• 安全声明26-36/37-61
• 危险类别码22-36-43-52/53

欧盟法规

上下游产品

合成工艺路线路线简述

• 2216-51-5 = 89-80-5
  反应条件:1.1 Reagents: Oxygen Catalysts: Sodium Nitrite,5-Fluoro-2-Azatricyclo[3.3.1.13,7]Dec-2-Yloxy Solvents: Acetic Acid; 6 H,Rt
  标题:Mechanistic Insight Into Aerobic Alcohol Oxidation Using Nox-Nitroxide Catalysis Based On Catalyst Structure-Activity Relationships
  作者:Shibuya,Masatoshi; Nagasawa,Shota; Osada,Yuji; Iwabuchi,Yoshiharu
  参考文献:Journal Of Organic Chemistry 日期:2014 卷标:79(21) 页码:10256-10268]
  
  89-78-1 = 89-80-5
  反应条件:1.1 Reagents: Potassium Peroxymonosulfate Sulfate (2Khso5.Khso4.K2So4) Catalysts: Iodobenzene,Ruthenium Trichloride Solvents: Acetonitrile,Water; 0.5 H,Rt
  标题:Transition Metal-Mediated Oxidations Utilizing Monomeric Iodosyl- And Iodylarene Species
  作者:Yusubov,Mekhman S.; Nemykin,Victor N.; Zhdankin,Viktor V.
  参考文献:Tetrahedron 日期:2010 卷标:66(31) 页码:5745-5752]
  
  3623-52-7 = 89-80-5
  反应条件:1.1 120 H,28 °C
  标题:Stereoselective Oxidation Of Alcohols Using Whole Cells Of Rhizomucor Miehei Cect 2749
  作者:Garcia-Burgos,C.; Carballeira,J. D.; Sinisterra,J. V.
  参考文献:Journal Of Molecular Catalysis B: Enzymatic 日期:2006 卷标:41(1-2) 页码:16-20]
  
  89-78-1 = 89-80-5
  反应条件:1.1 Reagents: Potassium Carbonate,Iodine Solvents: Tert-Butanol; 16 H,90 °C1.2 Reagents: Sodium Sulfite Solvents: Water; 0 °C
  标题:Facile Oxidative Conversion Of Alcohols To Esters Using Molecular Iodine
  作者:Mori,Naoshi; Togo,Hideo
  参考文献:Tetrahedron 日期:2005 卷标:61(24) 页码:5915-5925]
  
  15932-80-6 = 89-80-5 [标题:Reaction Conditions
  标题:Selective Reduction Of α,β-Unsaturated Carbonyl Compounds By Sodium Hydrotelluride
  作者:Yamashita,Masakazu; Kato,Yukihiko; Suemitsu,Rikisaku
  参考文献:Chemistry Letters 日期:1980 卷标:(7) 页码:847-8]
  
  89-78-1 = 89-80-5
  反应条件:1.1 Reagents: N-Chloro-N-(Phenylsulfonyl)Benzenesulfonamide Solvents: Acetonitrile; 5 Min,20 - 25 °C
  标题:Rapid,Chemoselective And Mild Oxidation Protocol For Alcohols And Ethers With Recyclable N-Chloro-N-(Phenylsulfonyl)Benzenesulfonamide
  作者:Palav,Amey; Misal,Balu; Ganwir,Prerna; Badani,Purav; Chaturbhuj,Ganesh
  参考文献:Tetrahedron Letters 日期:2021 卷标:73]
  
  89-78-1 = 89-80-5
  反应条件:1.1 Reagents: Tempo,Hypochlorous Acid,Sodium Salt,Pentahydrate Catalysts: Tetrabutylammonium Sulfate Solvents: Dichloromethane; 24 H,5 °C
  标题:Sodium Hypochlorite Pentahydrate (Naocl.5H2O) Crystals; An Effective Re-Oxidant For Tempo Oxidation
  作者:Okada,Tomohide; Asawa,Tomotake; Sugiyama,Yukihiro; Iwai,Toshiaki; Kirihara,Masayuki; Et Al
  参考文献:Tetrahedron 日期:2016 卷标:72(22) 页码:2818-2827]
  
  89-78-1 = 89-80-5
  反应条件:1.1 Reagents: Chromate(1-),Chlorotrioxo-,(T-4)-,Hydrogen,Compd. With 3,5-Dimethyl-1H-Pyraz...; 5 Min,Rt
  标题:3,5-Dimethylpyrazolium Chlorochromate(Vi),An Efficient Reagent For Solvent-Free Oxidation Of Organic Substrates
  作者:Canbulat,Melek; Ozgun,Beytiye
  参考文献:Synthesis And Reactivity In Inorganic 日期:2012 卷标:42(5) 页码:634-637]
  
  89-78-1 = 89-80-5
  反应条件:1.1 Reagents: Hydrogen Peroxide Catalysts: Cetylpyridinium Chloride,Tungstate(8-),[μ11-[orthosilicato(4-)-Ko:Ko:Ko:Ko′:Ko′:Ko′:Ko′′:Ko′′:Ko′′:Ko′′′... Solvents: Water; 8 H,363 K
  标题:A Water-Soluble Dilacunary Silicotungstate As An Effective Catalyst For Oxidation Alcohols In Water With Hydrogen Peroxide
  作者:Ma,Baochun; Zhang,Yingshuai; Ding,Yong; Zhao,Wei
  参考文献:Catalysis Communications 日期:2010 卷标:11(9) 页码:853-857]
  
  89-78-1 = 89-80-5
  反应条件:1.1 Reagents: Potassium Peroxymonosulfate Sulfate (2Khso5.Khso4.K2So4) Catalysts: Iodobenzene,Ruthenium Trichloride Solvents: Acetonitrile,Water; 0.5 H,Rt
  标题:Iodine(V)/ruthenium(Iii)-Cocatalyzed Oxidations: A Highly Efficient Tandem Catalytic System For The Oxidation Of Alcohols And Hydrocarbons With Oxone
  作者:Yusubov,Mekhman S.; Zagulyaeva,Aleksandra A.; Zhdankin,Viktor V.
  参考文献:Chemistry - A European Journal 日期:2009 卷标:15(42) 页码:11091-11094]
  
  1490-04-6 = 89-80-5
  反应条件:1.1 Reagents: Silica,Iodic Acid Catalysts: Potassium Bromide Solvents: Chloroform,Water; 100 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]
  
  3623-51-6 = 89-80-5
  反应条件:1.1 Solvents: Dichloromethane
  标题:Silica Gel Supported Jones Reagent (Sjr): A Simple,Versatile,And Efficient Reagent For Oxidation Of Alcohols In Non-Aqueous Media
  作者:Ali,Mohammed Hashmat; Wiggin,Candace J.
  参考文献:Synthetic Communications 日期:2001 卷标:31(21) 页码:3383-3393]
  
  1490-04-6 = 89-80-5
  反应条件:1.1 Reagents: Ethanaminium,N,N,N-Triethyl-,(Trichloride) Solvents: Acetonitrile
  标题:Tetraethylammonium Trichloride: A Versatile Reagent For Chlorinations And Oxidations
  作者:Schlama,Thierry; Gabriel,Kiroubagaranne; Gouverneur,Veronique; Mioskowski,Charles
  参考文献:Angewandte Chemie 日期:1997 卷标:36(21) 页码:2342-2344]
  
  89-78-1 = 89-80-5
  反应条件:1.1 Reagents: Potassium Peroxymonosulfate Sulfate (2Khso5.Khso4.K2So4) Catalysts: Benzenesulfonic Acid,2-Iodo-,Sodium Salt (1:1) Solvents: Acetonitrile; 1 - 12 H,70 °C
  标题:2-Iodobenzenesulfonic Acid
  作者:Uyanik,Muhammet; Ishihara,Kazuaki; Zhang,Chi; Cui,Li-Qian
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2012 卷标:1 页码:1-6]
  
  89-78-1 = 89-80-5
  反应条件:1.1 Reagents: Sodium Bromate Catalysts: Hydrochloric Acid,4-(Benzoylamino)-2,2,6,6-Tetramethyl-1-Piperidinyloxy Solvents: Dichloromethane,Water; 9 H,Rt
  标题:4-Benzamido-Tempo Catalyzed Oxidation Of A Broad Range Of Alcohols To The Carbonyl Compounds With Nabro3 Under Mild Conditions
  作者:Shen,Jiaxuan; Sun,Jiangkai; Qin,Shuangshuang; Chu,Changhu; Liu,Renhua
  参考文献:Chinese Journal Of Chemistry 日期:2014 卷标:32(5) 页码:405-409]
  
  89-78-1 = 89-80-5
  反应条件:1.1 Reagents: Hydrogen Peroxide Catalysts: Trioctylmethylammonium Chloride,Tungstate(8-),[μ11-[orthosilicato(4-)-Ko:Ko:Ko:Ko′:Ko′:Ko′:Ko′′:Ko′′:Ko′′:Ko′′′... Solvents: Water; 7 H,90 °C
  标题:Oxidation Of Alcohols And Pyridines By A Water-Soluble Polyoxometalate With Hydrogen Peroxide
  作者:Zhang,Zhenxin; Zhu,Qianqian; Ding,Yong
  参考文献:Synthetic Communications 日期:2013 卷标:43(9) 页码:1211-1218]
  
  89-78-1 = 89-80-5
  反应条件:1.1 Reagents: Trichloroisocyanuric Acid Catalysts: Pyridine Solvents: Acetonitrile; 30 Min,Rt; 2 D,Rt
  标题:The Oxidation Of Alcohols With Trichloroisocyanuric Acid: Pyridine From Base To Organocatalyst
  作者:Van Summeren,Ruben P.; Romaniuk,Amy; Ijpeij,Edwin G.; Alsters,Paul L.
  参考文献:Catalysis Science & Technology 日期:2012 卷标:2(10) 页码:2052-2056]
  
  89-78-1 = 89-80-5
  反应条件:1.1 Reagents: N-Bromosuccinimide,Potassium Carbonate Catalysts: N-(1,1-Dimethylethyl)Benzenesulfenamide Solvents: Dichloromethane; 24 H,Rt
  标题:N-(1,1-Dimethylethyl)Benzenesulfenamide
  作者:Heintzelman,Geoffrey R.
  参考文献:E-Eros Encyclopedia Of Reagents For Organic Synthesis 日期:2006 卷标:1 页码:1-2]
  
  89-78-1 = 89-80-5
  反应条件:1.1 Reagents: Sodium Hypochlorite Solvents: Acetic Acid,Water
  标题:Synthesis Of Putative Polyketide Precursors And Intermediates
  作者:O'Connell,Yvonne
  参考文献:2007]
  
  89-78-1 = 89-80-5
  反应条件:1.1 Reagents: N-Bromosuccinimide,Potassium Carbonate Catalysts: N-(1,1-Dimethylethyl)Benzenesulfenamide Solvents: Dichloromethane; 24 H,Rt
  标题:N-Tert-Butylbenzenesulfenamide-Catalyzed Oxidation Of Alcohols To The Corresponding Carbonyl Compounds With N-Chlorosuccinimide
  作者:Matsuo,Jun-Ichi; Iida,Daisuke; Yamanaka,Hiroyuki; Mukaiyama,Teruaki
  参考文献:Tetrahedron 日期:2003 卷标:59(35) 页码:6739-6750

海关参考信息

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