CAS: 928-95-0; Trans-2-Hexen-1-Ol

• 英文名称Trans-2-Hexen-1-Ol
• 中文名称反式-2-己烯醇
• IUPAC名称(E)-hex-2-en-1-ol
• 其它别名反式-2-己烯-1-醇; 2己烯1醇反式; Trans-Hex-2-En-1-Ol
• CAS编号928-95-0
• MFCD编号:MFCD00002927
• EINECS号:213-191-2
• 分子式:C6H12O
• 分子量:100.16
• 产品CID: 1967696
• 产品分类有机原料→分子砌块→脂肪链类化合物

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: ZCHHRLHTBGRGOT-SNAWJCMRSA-N
• InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4+…
• 计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数3.0

相似化合物

物理性质

• 熔点54.63 °C
• 沸点158-160 °C at 760 mmHg
• 闪点54°C
• 密度0.8±0.1 g/cm3
• pKa:14.45±0.10(预测)
• PSA:20.23
• LogP:1.335
• 折射率1.443
• 蒸汽压0.9±0.6 mmHg at 25°C
• 溶解性Slightly Soluble In Water
• 敏感性常温常压下稳定，避免强氧化剂接触
• 外观形态透明无色液体
• 储存条件2-8°C
• 产品应用反式-2-己烯-1-醇(928-95-0)的用途:GB 2760－96规定为允许使用的食用香料.主要用以配制苹果等水果型香精.
• 性质描述沸点158-160°C,密度0.849g/mLat25°C,折光率n20/D1.438,闪点130°F

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3
  严重眼刺激 类别2
  皮肤致敏 类别1B
  特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  皮肤腐蚀 类别1B
  严重眼损伤 类别1
  皮肤腐蚀 类别1
  急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  急性毒性 类别4(经口)
  皮肤致敏 类别1
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H226 |易燃液体和蒸气.
  H319 |造成严重眼刺激.
  H317 |可能引起皮肤过敏反应.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H314 |造成严重皮肤灼伤和眼损伤.
  H318 |造成严重眼损伤.
  H332 |吸入有害.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
• 防范说明P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
• 危险等级3
• UN编号UN 1987 3/PG 3
• 危险品标志Xi
• 包装等级III
• 安全声明26-36
• 危险类别码10-36/37/38
• WGK Germany2

欧盟法规

上下游产品

合成工艺路线路线简述

• 764-60-3 = 928-95-0
  反应条件:1.1 Reagents: Lithium Aluminum Hydride Solvents: Tetrahydrofuran
  标题:Stereoselective Routes To E And Z Straight-Chain Primary Allylic Amines
  作者:Tomassy,Beata; Zwierzak,Andrzej
  参考文献:Synthetic Communications 日期:1998 卷标:28(7) 页码:1201-1214]
  
  = 928-95-0
  反应条件:1.1 Reagents: Sodium Borohydride Catalysts: Methanesulfonic Acid,1,1,1-Trifluoro-,Erbium(3+) Salt (3:1) Solvents: 2-Methyltetrahydrofuran; 5 Min,Rt1.2 Reagents: Water; Rt
  标题:Eco-Friendly Stereoselective Reduction Of α,β-Unsaturated Carbonyl Compounds By Er(Otf)3/nabh4 In 2-Methf
  作者:Nardi,Monica; Sindona,Giovanni; Costanzo,Paola; Oliverio,Manuela; Procopio,Antonio
  参考文献:Tetrahedron 日期:2015 卷标:71(7) 页码:1132-1135]
  
  113997-32-3 = 928-95-0
  反应条件:1.1 Catalysts: Methanesulfonic Acid,1,1,1-Trifluoro-,Hafnium(4+) Salt (4:1) Solvents: Methanol; 1 H,Rt1.2 Reagents: Triethylamine; Neutralized,Rt
  标题:Hafnium Triflate As A Highly Potent Catalyst For Regio- And Chemoselective Deprotection Of Silyl Ethers
  作者:Zheng,Xiu-An; Kong,Rui; Huang,Hua-Shan; Wei,Jing-Ying; Chen,Ji-Zong; Et Al
  参考文献:Synthesis 日期:2019 卷标:51(4) 页码:944-952]
  
  = 928-95-0
  反应条件:1.1 Catalysts: 12-Tungstophosphoric Acid Solvents: Methanol; 10 Min,Rt1.2 Reagents: Sodium Borohydride; 30 Min,Rt
  标题:Direct Reductive Amination And Selective 1,2-Reduction Of α,β-Unsaturated Aldehydes And Ketones By Nabh4 Using H3Pw12O40 As Catalyst
  作者:Heydari,Akbar; Khaksar,Samad; Akbari,Jafar; Esfandyari,Maryam; Pourayoubi,Mehrdad; Et Al
  参考文献:Tetrahedron Letters 日期:2007 卷标:48(7) 页码:1135-1138]
  
  = 928-95-0
  反应条件:1.1 Reagents: Isopropanol Catalysts: Bis(η5-Cyclopentadienyl)Dihydrozirconium Solvents: Isopropanol
  标题:Meerwein-Ponndorf-Verley-Type Reduction Of Dicarbonyl Compounds To Hydroxy Carbonyl Compounds And α,β-Unsaturated Carbonyl Compounds To Allylic Alcohols Catalyzed By Zirconocene And Hafnocene Complexes
  作者:Nakano,Tatsuya; Umano,Shigetoshi; Kino,Yoshio; Ishii,Yasutaka; Ogawa,Masaya
  参考文献:Journal Of Organic Chemistry 日期:1988 卷标:53(16) 页码:3752-7]
  
  = 928-95-0
  反应条件:1.1 Reagents: Sodium Borohydride Solvents: Ethanol; Rt
  标题:Asymmetric Synthesis Of Chiral Flavors 3-Mercapto Hexanol And Its Acetate
  作者:Ye,Honglin; Guo,Anqi; Tian,Hongyu; Sun,Baoguo; Ouyang,Tianhui
  参考文献:Shipin Gongye Keji 日期:2009 卷标:30(12) 页码:319-322]
  
  67746-30-9 = 928-95-0
  反应条件:1.1 Reagents: Trifluoromethanesulfonic Acid Solvents: Tetrahydrofuran,Water1.2 Reagents: Sodium Bicarbonate Solvents: Water1.3 Reagents: Tert-Butylamine Borane1.4 Reagents: Hydrochloric Acid Solvents: Water
  标题:Convenient One-Pot Conversion Of Acetals Into Alcohols
  作者:Lukin,Kirill A.; Yang,Cheng Xi; Bellettini,John R.; Narayanan,B. A.; Leanna,M. Robert; Et Al
  参考文献:Synlett 日期:1999 卷标:(1) 页码:59-60]
  
  = 928-95-0
  反应条件:1.1 Reagents: Hydrogen Catalysts: Iridium,Rhenium Solvents: Water; 4 H,0.8 Mpa,30 °C
  标题:Preparation Of Unsaturated Alcohols By Reduction Of Unsaturated Carbonyl Compounds And Metal Catalysts Therefor
  参考文献:Japan]
  
  519013-65-1 = 928-95-0
  反应条件:1.1 Solvents: Tetrahydrofuran; Rt -> -78 °C1.2 Reagents: Potassium Bis(Trimethylsilyl)Amide Solvents: Benzene; 10 Min,-78 °C; 30 Min,-78 °C; 1 H,-78 °C -> Rt; 30 Min,Rt; Rt -> 0 °C1.3 Reagents: Pyridine,Hydrofluoride (1:1); 30 Min,0 °C; 0 °C -> Rt; 1 H,Rt
  标题:Efficient And Stereoselective Synthesis Of Allylic Ethers And Alcohols
  作者:Pospisil,Jiri; Marko,Istvan E.
  参考文献:Organic Letters 日期:2006 卷标:8(26) 页码:5983-5986]
  
  27829-72-7 = 928-95-0
  反应条件:1.1 Reagents: Diisobutylaluminum Hydride Solvents: Dichloromethane,Hexane; 0 °C; 1 H1.2 Reagents: Monopotassium Monosodium Tartrate Tetrahydrate Solvents: Water; 2 H,Rt
  标题:Regio- And Diastereoselective Pd-Catalyzed Aminochlorocyclization Of Allylic Carbamates: Scope,Derivatization,And Mechanism
  作者:Papa Spadafora,Bruna; Moreira Ribeiro,Francisco Wanderson; Matsushima,Jullyane Emi; Ariga,Elaine Miho; Omari,Isaac; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2021 卷标:19(25) 页码:5595-5606]
  
  = 928-95-0
  反应条件:1.1 Reagents: (Oc-6-22)-[1,4-Diazabicyclo[2.2.2]Octane-Kn1,Kn4]Bis[tetrahydroborato(1-)-Kh,Kh′... Solvents: Tetrahydrofuran1.2 Reagents: Methanol
  标题:Modified Borohydride Agents,(1,4-Diazabicyclo[2.2.2]Octane)(Tetrahydroborato)Zinc Complex [zn(Bh4)2(Dabco)]. A New Ligand Metal Borohydride As A Stable,Efficient,And Versatile Reducing Agent
  作者:Firouzabadi,Habib; Zeynizadeh,Behzad
  参考文献:Bulletin Of The Chemical Society Of Japan 日期:1997 卷标:70(1) 页码:155-167]
  
  = 928-95-0
  反应条件:1.1 Reagents: Phenylsilane Catalysts: Cobalt,[2,6-Bis[1-[[3-(Diphenylphosphino-Kp)Propyl]Imino-Kn]Ethyl]Phenyl-Kc]-,...; 2 Min,25 °C1.2 Reagents: Sodium Hydroxide Solvents: Water; 2 H,25 °C
  标题:An Aryl Diimine Cobalt(I) Catalyst For Carbonyl Hydrosilylation
  作者:Sharma,Anuja; So,Sangho; Kim,Jun-Hyeong; Macmillan,Samantha N.; Baik,Mu-Hyun; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2022 卷标:58(77) 页码:10793-10796]
  
  105-36-2 = 928-95-0
  反应条件:1.1 Reagents: Sodium Bicarbonate,Triphenylphosphine Solvents: Water; 12 H,Rt1.2 Reagents: Diisobutylaluminum Hydride Solvents: Dichloromethane; 2 H,-78 °C
  标题:Copper-Catalyzed Azide-Ynamide Cyclization To Generate α-Imino Copper Carbenes: Divergent And Enantioselective Access To Polycyclic N-Heterocycles
  作者:Liu,Xin; Wang,Ze-Shu; Zhai,Tong-Yi; Luo,Chen; Zhang,Yi-Ping; Et Al
  参考文献:Angewandte Chemie 日期:2020 卷标:59(41) 页码:17984-17990]
  
  764-60-3 = 928-95-0
  反应条件:1.1 Solvents: Tetrahydrofuran; Rt -> 5 °C1.2 Reagents: Vitride Solvents: Toluene; 0 - 20 °C; 5 H,20 °C -> 25 °C; 25 °C -> 10 °C1.3 Reagents: Water; 0 - 15 °C
  标题:Process For Preparation Of α-Amino-β-Hydroxycarbonyl Compounds
  参考文献:World Intellectual Property Organization]
  
  = 928-95-0
  反应条件:1.1 Catalysts: Zinc 2-Ethylhexanoate,Sodium Borohydride Solvents: Diisopropyl Ether1.2 Reagents: Poly(Methylhydrosiloxane)1.3 Reagents: Sodium Hydroxide Solvents: Water
  标题:Selective Reduction Of Carbonyl Compounds By Polymethylhydrosiloxane In The Presence Of Metal Hydride Catalysts
  作者:Mimoun,Hubert
  参考文献:Journal Of Organic Chemistry 日期:1999 卷标:64(7) 页码:2582-2589]
  
  = 928-95-0
  反应条件:1.1 Reagents: Isopropanol Catalysts: Zirconium Hydroxide (Zr(Oh)2)
  标题:The Catalytic Reduction Of Aldehydes And Ketones With 2-Propanol Over Hydrous Zirconium Oxide
  作者:Shibagaki,Makoto; Takahashi,Kyoko; Matsushita,Hajime
  参考文献:Bulletin Of The Chemical Society Of Japan 日期:1988 卷标:61(9) 页码:3283-8]
  
  = 928-95-0
  反应条件:1.1 Reagents: Sodium Borohydride Solvents: Ethanol; Rt; 1.5 H,Rt
  标题:Preparation Of Optically Active Flavors 3-(Methylthio)Hexanol And Its Acetate
  作者:Yu,Jiefei; Tian,Hongyu; Sun,Baoguo; Ouyang,Tianhui
  参考文献:Jingxi Huagong 日期:2010 卷标:27(4) 页码:369-373]
  
  27829-72-7 = 928-95-0
  反应条件:1.1 Reagents: Diisobutylaluminum Hydride Solvents: Dichloromethane,Toluene; -78 °C; -78 °C -> Rt; Overnight,Rt1.2 Reagents: Methanol; Rt
  标题:First Synthesis Of 3-S-Glutathionylhexanal-D8 And Its Bisulfite Adduct
  作者:Muhl,Jennifer R.; Pilkington,Lisa I.; Deed,Rebecca C.
  参考文献:Tetrahedron Letters 日期:2020 卷标:61(28)]
  
  = 928-95-0
  反应条件:1.1 Reagents: Sodium Hydroxide Catalysts: Tetrabutylammonium Bromide Solvents: Water; < 20 °C; 3 H,55 °C
  标题:Preparation Of Trans-2-Hexenol And Trans-2-Hexenoic Acid
  参考文献:China]
  
  930-22-3 = 928-95-0
  反应条件:1.1 Solvents: Benzene,Water
  标题:New Four-Carbon-Atom Homologation Involving The Free-Radical Chain Reaction Of 1,3-Butadiene Monoxide With Organoboranes. Synthesis Of 4-Alkyl-2-Buten-1-Ols From Olefins Via Hydroboration
  作者:Brown,Herbert Charles; Suzuki,Akira; Miyaura,Norio; Itoh,Mitsuomi; Holland,George W.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:1971 卷标:93(11) 页码:2792-3

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
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其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
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• ➥ REACH监管