CAS: 89-79-2; (1R,2S,5R)-5-Methyl-2-(Prop-1-En-2-yl)Cyclohexan-1-Ol

• 英文名称(1R,2S,5R)-5-Methyl-2-(Prop-1-En-2-yl)Cyclohexan-1-Ol
• 中文名称(-)-异蒲勒醇
• IUPAC名称(1R,2S,5R)-5-methyl-2-(prop-1-en-2-yl)cyclohexan-1-ol
• 其它别名(-)-异苏木精
• CAS编号89-79-2
• MFCD编号:MFCD00134655
• EINECS号:201-940-6
• 分子式:C10H18O
• 分子量:154.25
• 产品CID: 1919584
• 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: ZYTMANIQRDEHIO-KXUCPTDWSA-N
• InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1…
• 计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数1.0

相似化合物

物理性质

• 熔点78 °C
• 沸点212 °C at 760 mmHg
• 闪点195 °F
• 密度0.912 g/mL at 25 °C(文献)
• pKa:15.11±0.60(预测)
• PSA:20.23
• LogP:2.3596
• 折射率n20/D 1.471(文献)
• 蒸汽压13.97Pa at 20°C
• 溶解性Chloroform (Slightly), Methanol (Slightly)
• 外观形态无色液体
• 储存条件-20°C
• 产品应用该化合物用于香水的成分,浓度在制成品中等于5至30 PPM,主要在微调类型和几种BERRY香味类型.

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)
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  特定目标器官毒性 - 单次接触 类别3
  皮肤致敏 类别1
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H335 |可能引起呼吸道刺激.
  H317 |可能引起皮肤过敏反应.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
• UN编号NA 1993 / PGIII
• 危险品标志Xn
• 安全声明26-36/37/39
• 危险类别码22-36/37/38
• WGK Germany2

欧盟法规

上下游产品

合成工艺路线路线简述

• 2385-77-5 = 89-79-2
  反应条件:1.1 Catalysts: Triethylaluminum,3-Cyclohexyl[1,1′-Biphenyl]-2-Ol Solvents: Toluene; 1 H,Rt; Rt -> < 5 °C1.2 Catalysts: Ethyl Glyoxylate Solvents: Toluene; < 5 °C; 4 H,< 5 °C
  标题:Highly Selective Aluminium-Catalysed Intramolecular Prins Reaction For L-Menthol Synthesis
  作者:Itoh,H.; Maeda,H.; Yamada,S.; Hori,Y.; Mino,T.; Et Al
  参考文献:Rsc Advances 日期:2014 卷标:4(106) 页码:61619-61623]
  
  2385-77-5 = 89-79-2
  反应条件:1.1 Catalysts: Zinc Bromide Solvents: Dichloromethane; 3 H,Rt
  标题:Intramolecular Carbonyl-Ene Reaction Of Citronellal To Isopulegol Over Znbr2-Loading Mesoporous Silica Catalysts
  作者:Imachi,Shohei; Owada,Kisho; Onaka,Makoto
  参考文献:Journal Of Molecular Catalysis A: Chemical 日期:2007 卷标:272(1-2) 页码:174-181]
  
  16750-82-6 = 89-79-2
  反应条件:1.1 Solvents: Water; 14 H,Ph 6.5,Rt
  标题:Daucus Carota And Baker'S Yeast Mediated Bio-Reduction Of Prochiral Ketones
  作者:Yadav,Jhillu S.; Reddy,Garudammagari S. K. K.; Sabitha,Gowravaram; Krishna,Avvaru D.; Prasad,Attaluri R.; Et Al
  参考文献:Tetrahedron: Asymmetry 日期:2007 卷标:18(6) 页码:717-723]
  
  106-23-0 = 89-79-2
  反应条件:1.1 Catalysts: Copper(2+) 1,3,5-Benzenetricarboxylate (3:2) Solvents: 1,2-Dichloroethane; 40 H,383 K
  标题:Mof Materials As Catalysts For Organic Transformations And As Selective Hosts In Recognition Of Organics
  作者:Alaerts,L.; Thibault-Starzyk,F.; Seguin,E.; Denayer,J. F. M.; Jacobs,P. A.; Et Al
  参考文献:Studies In Surface Science And Catalysis 日期:2007 卷标:170 页码:1996-2003]
  
  106-23-0 = 89-79-2
  反应条件:1.1 Catalysts: Alumina-Silica Mixt. Solvents: Toluene; 5 Bar,70 °C
  标题:Solvent Effects In Solid Acid-Catalyzed Reactions: The Case Of The Liquid-Phase Isomerization/cyclization Of Citronellal Over Sio2-Al2O3
  作者:Bertero,Nicolas M.; Trasarti,Andres F.; Acevedo,Maria C.; Marchi,Alberto J.; Apesteguia,Carlos R.
  参考文献:Molecular Catalysis 日期:2020 卷标:481]
  
  106-23-0 = 89-79-2
  反应条件:1.1 Catalysts: Zirconium Sulfate Solvents: Toluene
  标题:Isomerizations Of Citronellal To Isopulegol And Geraniol To Linalool Catalyzed By Solid Acids And Bases
  作者:Arata,Kazushi; Matsuura,Chiharu
  参考文献:Chemistry Letters 日期:1989 卷标:(10) 页码:1797-8]
  
  2385-77-5 = 89-79-2
  反应条件:1.1 Catalysts: Manganese(2+) Solvents: Dichloromethane; 0.5 H,Reflux
  标题:Lewis Acid Catalysis And Green Oxidations: Sequential Tandem Oxidation Processes Induced By Mn-Hyperaccumulating Plants
  作者:Escande,Vincent; Renard,Brice-Loic; Grison,Claude
  参考文献:Environmental Science And Pollution Research 日期:2015 卷标:22(8) 页码:5633-5652]
  
  2385-77-5 = 89-79-2
  反应条件:1.1 Catalysts: Scandium Triflate Solvents: Dichloromethane
  标题:Scandium Trifluoromethanesulfonate,An Efficient Catalyst For The Intermolecular Carbonyl-Ene Reaction And The Intramolecular Cyclization Of Citronellal
  作者:Aggarwal,Varinder. K.; Vennall,Graham. P.; Davey,Paul. N.; Newman,Chris
  参考文献:Tetrahedron Letters 日期:1998 卷标:39(14) 页码:1997-2000]
  
  833447-16-8 = 89-79-2
  反应条件:1.1 Reagents: Sodium Bicarbonate Solvents: Xylene; 18 H,160 °C
  标题:Stereoselective Free Radical Phenylsulfenylation Of A Nonactivated δ-Carbon Atom
  作者:Petrovic,Goran; Saicic,Radomir N.; Dosen-Micovic,Ljiljana; Cekovic,Zivorad
  参考文献:Journal Of The Serbian Chemical Society 日期:2004 卷标:69(10) 页码:737-747]
  
  106-23-0 = 89-79-2
  反应条件:1.1 Solvents: Benzene; 10 Min,60 °C
  标题:Citronellal Cyclisation To Isopulegol Over Micro-Mesoporous Zsm-5 Zeolite: Effects Of Desilication Temperature On Textural And Catalytic Properties
  作者:Shah,Abdul Karim; Maitlo,Ghulamullah; Korai,Rashid Mustafa; Unar,Imran Nazir; Shah,Aqeel Ahmed; Et Al
  参考文献:Reaction Kinetics 日期:2019 卷标:128(1) 页码:507-522

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905122000-异丙醇
  2905141000-异丁醇
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

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• ➥ 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