CAS: 823-22-3; 6-Methyltetrahydro-2H-Pyran-2-One

• 英文名称6-Methyltetrahydro-2H-Pyran-2-One
• 中文名称δ-己醇内酯
• IUPAC名称6-methyltetrahydro-2H-pyran-2-one
• 其它别名Delta-Hexanolide; .Delta.-Hexalactone [fhfi]; Hexanoic Acid, .Delta.-Lactone; .Delta.-Caprolactone; 6-Methyl-D-Valerolactone; Hexanoic Acid, 5-Hydroxy-, .Delta.-Lactone; Hexanolactone; 5-Methyl-Delta-Valerolactone; As-56
• CAS编号823-22-3
• MFCD编号:MFCD00083574
• EINECS号:212-511-8
• FDA UNII编号:C8456O4551
• 分子式:C6H10O2
• 分子量:114.14
• 产品CID: 1814186
• 产品分类有机原料→分子砌块→脂肪杂环类化合物→四氢吡喃类化合物

• 相似结构搜索
• 产品信息参考;;;
• InChIKey: RZTOWFMDBDPERY-UHFFFAOYNA-N
• InChI=1/C6H10O2/c1-5-3-2-4-6(7)8-5/h5H,2-4H2,1H3…
• 计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数0.0

相似化合物

物理性质

• 熔点16-18 °C
• 沸点110-112 °C at 15 mmHg
• 闪点107°C
• 密度1.037 g/mL at 25 °C(文献)
• PSA:26.3
• LogP:1.102
• 折射率n 20/D 1.452(文献)
• 蒸汽压0.145 mmHg at 25 °C
• 溶解性Chloroform (Slightly), Methanol (Slightly)
• 外观形态透明无色冻干粉末
• 储存条件-20°C
• 产品应用δ-己醇内酯(823-22-3)的用途:GB 2760―1996规定为允许使用的食品用香料.用于杏仁,樱桃,黄油,奶油等食用香精,也用于烟草香精.可用于有机合成,为制取δ-羟基己酸及其盐类的原料.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别严重眼刺激 类别2
  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2A
• 警示词Warning(警告)
• 危险描述H319 |造成严重眼刺激.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
• 防范说明P233-P260-P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501
• UN编号NONH for all modes of transport
• 安全声明22-24/25
• WGK Germany2

欧盟法规

上下游产品

合成工艺路线路线简述

• 1577-22-6 = 823-22-3
  反应条件:1.1 Catalysts: Bis[μ-[1,3,5-Benzenetricarboxylato(3-)-Ko1:Ko′1]]Tetra-μ3-Hydroxytetra-μ3-Oxohex... Solvents: Octane; 18 H,120 °C
  标题:Strongly Lewis Acidic Metal-Organic Frameworks For Continuous Flow Catalysis
  作者:Ji,Pengfei; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2019 卷标:141(37) 页码:14878-14888]
  
  3128-06-1 = 823-22-3
  反应条件:1.1 Reagents: Potassium Hydroxide,Hydrogen Catalysts: 2662909-39-7 Solvents: Isopropanol; 24 H,30 Atm,100 °C
  标题:Efficient Hydrogenation Of Levulinic Acid Catalyzed By Spherical Nhc-Ir Assemblies With Atmospheric Pressure Of Hydrogen
  作者:Shen,Lingyun; Et Al
  参考文献:Green Chemistry 日期:2021 卷标:23(14) 页码:5037-5042]
  
  3128-06-1 = 823-22-3
  反应条件:1.1 Reagents: Hydrogen Catalysts: 2111154-42-6 Solvents: Water; 5 Bar,130 °C
  标题:Efficient Iridium Catalysts For Base-Free Hydrogenation Of Levulinic Acid
  作者:Wang,S.; Et Al
  参考文献:Organometallics 日期:2017 卷标:36(16) 页码:3152-3162]
  
  505-03-3 = 823-22-3
  反应条件:1.1 Reagents: 2-Propanethiol,Samarium Iodide (Smi2) Solvents: Tetrahydrofuran
  标题:Cooperative Catalysis Of Samarium Diiodide And Mercaptan In A Stereoselective One-Pot Transformation Of 5-Oxopentanals Into δ-Lactones
  作者:Hsu,Jue-Liang; Et Al
  参考文献:Organic Letters 日期:1999 卷标:1(12) 页码:1989-1991]
  
  1120-72-5 = 823-22-3
  反应条件:1.1 Reagents: M-Chloroperbenzoic Acid Solvents: Dichloromethane; 3 Min,250 Psi,130 °C
  标题:Facile Baeyer-Villiger Oxidation Of Cyclic Ketones: Conventional Versus Microwave-Assisted Approach
  作者:Randino,Rosario; Et Al
  参考文献:Tetrahedron Letters 日期:2015 卷标:56(42) 页码:5723-5726]
  
  13984-57-1 = 823-22-3
  反应条件:1.1 Reagents: 1-Carboxy-4-Hydroxy-α-Oxo-2,5-Cyclohexadiene-1-Propanoic Acid,Hydrogen Catalysts: Nickel
  标题:Syntheses In The Pyran Series. Ii. The Oxymethylenelactone Rearrangement
  作者:Korte,Friedhelm; Et Al
  参考文献:Chemische Berichte 日期:1955 卷标:88 页码:1676-84]
  
  928-40-5 = 823-22-3
  反应条件:1.1 Reagents: 1-Butanaminium,N,N,N-Tributyl-,Peroxymonosulfate (1:1) Catalysts: L-Phenylalanine,N-(4-Methyl-3-Sulfobenzoyl)-,Sodium Salt (1:1) (Polystyrene-Supported) Solvents: Acetonitrile; 70 °C
  标题:Oxidation Of Alcohols In Continuous Flow With A Solid Phase Hypervalent Iodine Catalyst
  作者:Bensberg,Kathrin; Et Al
  参考文献:Chemrxiv 日期:2023 卷标:1 页码:1-6]
  
  103245-40-5 = 823-22-3
  反应条件:1.1 Reagents: P-Toluenesulfonic Acid Monohydrate Solvents: Benzene; 4 H,85 °C
  标题:H-Bonding-Promoted Radical Addition Of Simple Alcohols To Unactivated Alkenes
  作者:Tian,Yunfei; Et Al
  参考文献:Green Chemistry 日期:2017 卷标:19(21) 页码:5230-5235]
  
  1453172-02-5 = 823-22-3
  反应条件:1.1 Reagents: Trifluoromethanesulfonic Anhydride Solvents: Dichloromethane; 1 H,Rt1.2 Reagents: Sodium Bicarbonate Solvents: Water; Overnight,Rt
  标题:Direct Room-Temperature Lactonization Of Alcohols And Ethers Onto Amides: An "Amide Strategy" For Synthesis
  作者:Valerio,Viviana; Et Al
  参考文献:Chemistry - A European Journal 日期:2013 卷标:19(8) 页码:2606-2610]
  
  1917-15-3 = 823-22-3
  反应条件:1.1 Reagents: Hydrogen Catalysts: Anatase (Tio2),Ruthenium Solvents: 1,4-Dioxane; 25 H,4 Mpa,150 °C
  标题:Pathway To Fully-Renewable Biobased Polyesters Derived From Hmf And Phenols
  作者:Tavana,Jalal; Et Al
  参考文献:Polymer Chemistry 日期:2022 卷标:13(9) 页码:1215-1227]
  
  10141-72-7 = 823-22-3
  反应条件:1.1 Reagents: Sodium Periodate,Ruthenium Dioxide
  标题:Ruthenium Tetroxide Oxidation Of Simple Ethers: A Systematic Study
  作者:Smith,Amos B. Iii; Et Al
  参考文献:Synthetic Communications 日期:1980 卷标:10(3) 页码:205-11]
  
  = 823-22-3
  反应条件:1.1 Catalysts: Stannous Octoate; 2 H,180 °C
  标题:Chemically Recyclable Thermoplastic Polyurethane Elastomers Via A Cascade Ring-Opening And Step-Growth Polymerization Strategy From Bio-Renewable δ-Caprolactone
  作者:Yan,Qin; Et Al
  参考文献:Macromolecules (Washington 日期:2022 卷标:55(10) 页码:3860-3868]
  
  3128-06-1 = 823-22-3
  反应条件:1.1 Reagents: Nickel Iodide (Nii2),Samarium Iodide (Smi2) Solvents: Tetrahydrofuran1.2 Reagents: Hydrochloric Acid
  标题:Barbier-Type Reactions Of Cyclic Acid Anhydrides And Keto Acids Mediated By An Smi2/(Nii2-Catalytic) System. Preparation Of Disubstituted Lactones
  作者:Machrouhi,Fouzia; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:1998 卷标:(11) 页码:2431-2436]
  
  = 823-22-3
  反应条件:1.1 Catalysts: Stannous Octoate; 2 H,130 °C
  标题:Rapid And Controlled Polymerization Of Bio-Sourced δ-Caprolactone Toward Fully Recyclable Polyesters And Thermoplastic Elastomers
  作者:Li,Changjian; Et Al
  参考文献:Angewandte Chemie 日期:2022 卷标:61(16)]
  
  505-03-3 = 823-22-3
  反应条件:1.1 Catalysts: 2-Propanethiol,Samarium Iodide (Smi2) Solvents: Tetrahydrofuran
  标题:Stereoselective Synthesis Of δ-Lactones From 5-Oxoalkanals Via One-Pot Sequential Acetalization,Tishchenko Reaction,And Lactonization By Cooperative Catalysis Of Samarium Ion And Mercaptan
  作者:Hsu,Jue-Liang; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2001 卷标:66(25) 页码:8573-8584]
  
  1120-72-5 = 823-22-3
  反应条件:1.1 Reagents: Hydrogen Peroxide Catalysts: Vanadate(9-),[heptacosa-μ-Oxopentadecaoxo[μ9-[phosphato(3-)-Ko:Ko:Ko:Ko′:Ko′:Ko... Solvents: Water,1-Butanaminium,N,N,N-Triethyl-4-Sulfo-,Tetrafluoroborate(1-) (1:1); 3 H,50 °C
  标题:Efficient And Convenient Oxidation Of Aldehydes And Ketones To Carboxylic Acids And Esters With H2O2 Catalyzed By Co4Hp2Mo15V3O62 In Ionic Liquid [tebsa][bf4]
  作者:Hu,Yu-Lin; Et Al
  参考文献:Rsc Advances 日期:2015 卷标:5(32) 页码:24936-24943]
  
  1120-72-5 = 823-22-3
  反应条件:1.1 Reagents: M-Chloroperbenzoic Acid Solvents: Dichloromethane
  标题:Exploiting The Geminal Acylation Reaction To Produce Beta-Turn Peptidomimetic
  作者:Elliott,Christine E.
  参考文献:2001]
  
  13984-57-1 = 823-22-3
  反应条件:1.1 Reagents: Sodium Borohydride Solvents: Ethanol1.2 Reagents: P-Toluenesulfonic Acid Solvents: Benzene
  标题:Enzymic Resolution Of Medium-Ring Lactones. Synthesis Of (S)-(+)-Phoracantholide I
  作者:Fouque,Elie; Et Al
  参考文献:Synthesis 日期:1989 卷标:(9) 页码:661-6]
  
  13984-57-1 = 823-22-3
  反应条件:1.1 Reagents: Sodium Borohydride Solvents: Methanol; 0 °C; 0 °C -> Rt2.1 Reagents: Hydrochloric Acid Solvents: Methanol,Water; Overnight,Rt
  标题:Stereodivergent Preparation Of Valuable γ- Or δ-Hydroxy Esters And Lactones Through One-Pot Cascade Or Tandem Chemoenzymatic Protocols
  作者:Diaz-Rodriguez,Alba; Et Al
  参考文献:Acs Catalysis 日期:2014 卷标:4(2) 页码:386-393]
  
  62593-13-9 = 823-22-3
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Methanol,Water; Overnight,Rt
  标题:Stereodivergent Preparation Of Valuable γ- Or δ-Hydroxy Esters And Lactones Through One-Pot Cascade Or Tandem Chemoenzymatic Protocols
  作者:Diaz-Rodriguez,Alba; Et Al
  参考文献:Acs Catalysis 日期:2014 卷标:4(2) 页码:386-393]
  
  928-40-5 = 823-22-3
  反应条件:1.1 Catalysts: 4-(Benzoyloxy)-2,2,6,6-Tetramethylpiperidine-1-Oxyl Solvents: Toluene; 1 H,Rt1.2 Reagents: Potassium Hydroxide,Potassium Ferricyanide Solvents: Water; 5 H,Rt
  标题:Oxidation Of Alcohols With Nitroxyl Radical Under Polymer-Supported Two-Phase Conditions
  作者:Kashiwagi,Yoshitomo; Et Al
  参考文献:New Journal Of Chemistry 日期:2003 卷标:27(11) 页码:1545-1549]
  
  928-40-5 = 823-22-3
  反应条件:1.1 Reagents: Manganic Acid (H2Mno4),Barium Salt (1:1) Solvents: Acetonitrile; 1 H,150 °C
  标题:Barium Manganate In Microwave-Assisted Oxidation Reactions: Synthesis Of Lactones By Oxidative Cyclization Of Diols
  作者:Bagley,Mark C.; Et Al
  参考文献:Tetrahedron Letters 日期:2009 卷标:50(49) 页码:6823-6825]
  
  823-23-4 = 823-22-3
  反应条件:1.1 Reagents: Hydrogen Catalysts: Platinum Oxide Solvents: Ethyl Acetate
  标题:Cyclization Of Hydroxy Enol Ethers Into Spiroacetals. Evidence For The Position Of The Transition State And Its Implication On The Stereoelectronic Effects In Acetal Formation
  作者:Pothier,Normand; Et Al
  参考文献:Helvetica Chimica Acta 日期:1992 卷标:75(2) 页码:604-20]
  
  1453171-90-8 = 823-22-3
  反应条件:1.1 Reagents: Trifluoromethanesulfonic Anhydride Solvents: Dichloromethane; 1 H,Rt1.2 Reagents: Sodium Bicarbonate Solvents: Water; Overnight,Rt
  标题:Direct Room-Temperature Lactonization Of Alcohols And Ethers Onto Amides: An "Amide Strategy" For Synthesis
  作者:Valerio,Viviana; Et Al
  参考文献:Chemistry - A European Journal 日期:2013 卷标:19(8) 页码:2606-2610]
  
  = 823-22-3
  反应条件:1.1 Reagents: Cuprous Chloride Solvents: Acetonitrile; 6 H,Rt
  标题:Efficient Transfer Of Chelating Amides Into Different Types Of Esters And Lactones
  作者:Jakob,Uwe; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2014 卷标:2014(31) 页码:6963-6974]
  
  = 823-22-3
  反应条件:1.1 Solvents: Diethyl Ether
  标题:Oxygen-Atom Transfer From Nitrous Oxide (N:N:O) To Nickel Alkyls. Syntheses And Reactions Of Nickel(Ii) Alkoxides
  作者:Matsunaga,Phillip T.; Et Al
  参考文献:Polyhedron 日期:1995 卷标:14(1) 页码:175-85

海关参考信息

• 2905122000-异丙醇
  2909110000-乙醚
  2912110000-甲醛
  2912120000-乙醛
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