CAS: 80-71-7; 2-Hydroxy-3-Methylcyclopent-2-Enone

• 英文名称2-Hydroxy-3-Methylcyclopent-2-Enone
• 中文名称甲基环戊烯醇酮
• IUPAC名称2-hydroxy-3-methylcyclopent-2-en-1-one
• 其它别名2-羟基-3-甲基-2-环戊烯酮; 2羟基3甲基2环戊烯1酮; Methylcyclopentenolone
• CAS编号80-71-7
• MFCD编号:MFCD00013747
• EINECS号:201-303-2
• FDA UNII编号:627E92X64B
• 分子式:C6H8O2
• 分子量:112.13
• 产品CID: 1802188
• 产品分类有机原料→分子砌块→脂肪环类化合物→环戊烷类化合物

• 相似结构搜索
• InChIKey: CFAKWWQIUFSQFU-UHFFFAOYSA-N
• InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h8H,2-3H2,1H3…
• 计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数0.0

相似化合物

物理性质

• 熔点104-108°C
• 沸点245.2°C at 760 mmHg
• 闪点178.7°C
• 密度1.0795 (粗估)
• pKa:9.21±0.20(预测)
• PSA:37.3
• LogP:1.1813
• 折射率1.4532 (估算)
• 蒸汽压2.1hPa at 20°C
• 溶解性Chloroform (Slightly), Methanol (Slightly)
• 外观形态白色结晶粉末或细晶体晶体
• 储存条件储存在 +2°C to +8°C.
• 产品应用甲基环戊烯醇酮(80-71-7)的用途:GB 2760―1996规定为允许使用的食用香料.其主要用以配制槭,熏烟,奶油硬糖和杏子等型香精.

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(经口)
  严重眼损伤 类别1
  皮肤致敏 类别1
  急性毒性 类别4(经皮)
  特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  呼吸道致敏 类别1
  严重眼刺激 类别2
  易燃液体 类别1
  急性毒性 类别5(经口)
• 警示词Danger(危险)
• 危险描述H302 |吞咽有害.
  H318 |造成严重眼损伤.
  H317 |可能引起皮肤过敏反应.
  H312 |皮肤接触有害.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H334 |吸入可能引起过敏或哮喘症状或呼吸困难.
  H319 |造成严重眼刺激.
  H224 |Extremely 易燃液体和蒸气.
  H303 |May be 吞咽有害
• 防范说明P261-P264-P270-P272-P273-P280-P302+P352-P330-P362+P364-P501
• 危险等级8
• UN编号1759.0
• 危险品标志Xi
• 包装等级Ⅲ
• 安全声明26-36/37-24/25-22
• 危险类别码36/37/38-43
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 37181-39-8 = 80-71-7
  反应条件:1.1 Reagents: Sodium Carbonate Solvents: Acetone,Water
  标题:Conversion Of α,β-Epoxyketones To Diosphenols Using 6-Methyl-2-Pyridone Anion As An Hydroxide Equivalent
  作者:Ponaras,A. A.; Et Al
  参考文献:Tetrahedron Letters 日期:2000 卷标:41(47) 页码:9031-9035]
  
  65313-46-4 = 80-71-7
  反应条件:1.1 Reagents: Oxygen Catalysts: Aluminum Calcium Oxide Solvents: Water; 6 H,1 Atm,Reflux; Ph 7
  标题:Conversion Of Hmf To Methyl Cyclopentenolone Using Pd/nb2O5 And Ca-Al Catalysts Via A Two-Step Procedure
  作者:Duan,Ying; Et Al
  参考文献:Green Chemistry 日期:2017 卷标:19(21) 页码:5103-5113]
  
  1188307-87-0 = 80-71-7
  反应条件:1.1 Catalysts: Sulfuric Acid,Monododecyl Ester,Scandium(3+) Salt (3:1) Solvents: Water; 24 H,Rt1.2 Reagents: Sodium Bicarbonate,Sodium Chloride Solvents: Water; Rt
  标题:Nazarov-Type Reactions In Water
  作者:Kokubo,Masaya; Et Al
  参考文献:Chemistry - An Asian Journal 日期:2009 卷标:4(4) 页码:526-528]
  
  17024-44-1 = 80-71-7
  反应条件:1.1 Reagents: Hydrogen Peroxide Solvents: Methanol1.2 Reagents: Sodium Hydroxide1.3 Solvents: Dichloromethane1.4 Reagents: Nitromethane,Lithium Perchlorate1.5 Solvents: Dichloromethane
  标题:Highly Chemo- And Regioselective Rearrangement Of α,β-Epoxy Ketones To 1,3-Dicarbonyl Compounds In 5 Mol Dm-3 Lithium Perchlorate-Diethyl Ether Medium
  作者:Sankararaman,S.; Et Al
  参考文献:Journal Of The Chemical Society 日期:1999 卷标:(21) 页码:3173-3175]
  
  17024-44-1 = 80-71-7
  反应条件:1.1 Reagents: Sulfuric Acid
  标题:Synthesis Of 2-Hydroxy-3-Methyl-2-Cyclopentenone From Isoprene
  作者:Ho,Tse Lok; Et Al
  参考文献:Synthetic Communications 日期:1983 卷标:13(8) 页码:685-90]
  
  = 80-71-7
  反应条件:1.1 Reagents: Lithium Hydroxide Catalysts: Platinum (Carbon-Supported) Solvents: Acetonitrile,Water; 5 H,60 °C
  标题:Heterogeneous Platinum Catalytic Aerobic Oxidation Of Cyclopentane-1,2-Diols To Cyclopentane-1,2-Diones
  作者:Reile,Indrek; Et Al
  参考文献:Tetrahedron 日期:2014 卷标:70(22) 页码:3608-3613]
  
  925-90-6 + 1001-55-4 = 80-71-7
  反应条件:1.1 Catalysts: Titanium Isopropoxide Solvents: Diethyl Ether; 15 Min,0 °C; 0 °C -> Rt; 1 H,Rt1.2 Reagents: Sodium Hydroxide Solvents: Water; 3 H,Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; Acidified,Rt
  标题:Convenient And Easy Access To 2-Hydroxycyclopent-2-Enones From Acylcyanohydrins
  作者:Pantin,Mathilde; Et Al
  参考文献:Tetrahedron 日期:2019 卷标:75(33) 页码:4657-4662]
  
  = 80-71-7 [标题:Reaction Conditions
  标题:Easy Synthesis Of 2-Hydroxy-3-Methylcyclopent-2-Enone
  作者:Shono,Tatsuya; Et Al
  参考文献:Journal Of The Chemical Society 日期:1977 卷标:(20) 页码:712-13]
  
  10493-98-8 = 80-71-7
  反应条件:1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran,Hexane; -78 °C1.2 -78 °C
  标题:Catalytic Epoxide Oxidation: A Novel Access To Flavouring And Odorant α-Diketones
  作者:Antoniotti,Sylvain; Et Al
  参考文献:Flavour And Fragrance Journal 日期:2004 卷标:19(5) 页码:373-381]
  
  = 80-71-7 [标题:Reaction Conditions
  标题:Synthesis Of Cyclic α-Diones,A Class Of Natural Flavor Compounds
  作者:Wild,Hannes; Et Al
  参考文献:Chimia 日期:1992 卷标:46(10) 页码:399-402]
  
  89450-48-6 = 80-71-7
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water; Rt; Rt -> 100 °C; 4 H,98 - 100 °C; 100 °C -> 50 °C; 50 °C -> 0 °C; 0.5 H,0 °C
  标题:Synthesis Of 2-Hydroxy-3-Methylcyclopent-2-Enone
  作者:Li,Yunxia; Et Al
  参考文献:Xiangliao Xiangjing Huazhuangpin 日期:2008 卷标:(4) 页码:9-11]
  
  26103-79-7 = 80-71-7
  反应条件:1.1 Reagents: Phosphoric Acid Solvents: Water; 10 H,100 °C1.2 Reagents: Sodium Carbonate Solvents: Water; Ph 7 - 8
  标题:Synthesis Of Perfumery Compound 3-Methyl-2-Hydroxycyclopent-2-En-1-One
  作者:Yan,Feng; Et Al
  参考文献:Shenyang Huagong Xueyuan Xuebao 日期:2005 卷标:19(1) 页码:1-4]
  
  65313-46-4 = 80-71-7
  反应条件:1.1 Reagents: Potassium Tert-Butoxide Solvents: Tetrahydrofuran,Water; 5 Min,60 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 5,Cooled
  标题:Cyclopentanone Derivatives From 5-Hydroxymethylfurfural Via 1-Hydroxyhexane-2,5-Dione As Intermediate
  作者:Wozniak,Bartosz; Et Al
  参考文献:Chemsuschem 日期:2018 卷标:11(2) 页码:356-359]
  
  17024-44-1 = 80-71-7
  反应条件:1.1 Reagents: Acetic Acid,Sulfuric Acid Solvents: Tetrahydrofuran; 70 °C; 2 Min,70 °C
  标题:Practical Preparation Of Diosphenols By Ring Opening Of α,β-Epoxyketones Catalyzed By Silica Gel Supported Acids
  作者:Zhu,Rui; Et Al
  参考文献:Synlett 日期:2007 卷标:(14) 页码:2267-2271]
  
  137051-86-6 = 80-71-7
  反应条件:1.1 Reagents: Chlorotrimethylsilane,Sodium Solvents: Toluene
  标题:Synthesis Of 2-Hydroxy-3-Methylcyclopent-2-En-1-One From Linalyl Acetate
  作者:Dos Santos,Maria Lucilia; Et Al
  参考文献:Organic Preparations And Procedures International 日期:1993 卷标:25(3) 页码:341-4]
  
  137051-86-6 = 80-71-7
  反应条件:1.1 Catalysts: Chlorotrimethylsilane Solvents: Toluene,Ethyl Acetate,Water
  标题:Synthesis Of 2-Hydroxy-3-Methyl-2-Cyclopentenone,Corylone,From 2-Ketoglutaric Acid
  作者:Dos Santos,Maria Lucilia; Et Al
  参考文献:Synthetic Communications 日期:1991 卷标:21(17) 页码:1783-8]
  
  = 80-71-7
  反应条件:1.1 Reagents: Silica
  标题:Synthesis Of 2-Hydroxy-3-Methylcyclopent-2-Enone From Methyl Acrylate
  作者:Cookson,Richard C.; Et Al
  参考文献:Journal Of The Chemical Society 日期:1979 卷标:(10) 页码:2447-8]
  
  = 80-71-7
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Acetic Acid
  标题:New Synthesis Of 3-Alkyl-2-Cyclopenten-2-Ol-1-Ones
  作者:Leir,Charles M.
  参考文献:Journal Of Organic Chemistry 日期:1970 卷标:35(10) 页码:3203-5]
  
  = 80-71-7
  反应条件:1.1 Reagents: Zinc Solvents: Acetic Acid
  标题:Synthesis Of 2-Hydroxy-3-Methylcyclopent-2-En-1-One. Iii
  作者:Sato,Kikumasa; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1973 卷标:38(3) 页码:551-4]
  
  67-47-0 = 80-71-7
  反应条件:1.1 Reagents: Hydrogen Catalysts: Iridium(1+),Chloro[(1,2,3,4,5-η)-1,2,3,4,5-Pentamethyl-2,4-Cyclopentadien-1-Yl]... Solvents: Water; 2 H,10 Bar,120 °C; 120 °C -> Rt1.2 Reagents: Potassium Hydroxide Solvents: Water; 30 Min,60 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 5
  标题:Cyclopentanone Derivatives From 5-Hydroxymethylfurfural Via 1-Hydroxyhexane-2,5-Dione As Intermediate
  作者:Wozniak,Bartosz; Et Al
  参考文献:Chemsuschem 日期:2018 卷标:11(2) 页码:356-359]
  
  5453-88-3 = 80-71-7
  反应条件:1.1 Reagents: Hydrochloric Acid,Sulfuric Acid Solvents: Diethyl Ether
  标题:A New Synthesis Of 3-Methylcyclopent-2-En-2-Ol-1-One
  作者:Sato,Kikumasa; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1967 卷标:32(2) 页码:339-41

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905121000-正丙醇
  2905130000-正丁醇
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