3,5,5-trimethyl-1-vinylcyclohexanol | 6221-40-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,5,5-trimethyl-1-vinylcyclohexanol
• 英文别名: 3,3,5-trimethyl-1-vinyl-cyclohexanol；3,3,5-Trimethyl-1-vinyl-cyclohexanol-(1)；1,1,3-Trimethyl-5-vinyl-cyclohexanol-(5)；1-Vinyl-1-hydroxy-3,3,5-trimethyl-cyclohexane；1-ethenyl-3,3,5-trimethylcyclohexan-1-ol
• CAS: 6221-40-5
• 化学式: C₁₁H₂₀O
• 分子量: 168.279
• InChiKey: WSRGUVRVLLTCJH-UHFFFAOYSA-N

物化性质

• 沸点：
  209.6±8.0 °C(Predicted)
• 密度：
  0.929±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3,5,5-trimethyl-1-vinylcyclohexanol 在 potassium hydrogensulfate 、 对苯二酚 作用下， 生成 1-乙烯基-3,3,5-三甲基环己烯
  参考文献：
  名称：

  Regio- and stereoselective hydrosulfonylation of conjugated dienes via (.pi.-allyl)palladium complex

  摘要：

  DOI：

  10.1021/jo00172a043
• 作为产物：
  描述：

  乙烯基溴化镁 、 3,3,5-三甲基环己酮 以 四氢呋喃 为溶剂， 以80%的产率得到3,5,5-trimethyl-1-vinylcyclohexanol
  参考文献：
  名称：

  PQS: A New Platform for Micellar Catalysis. RCM Reactions in Water, with Catalyst Recycling

  摘要：

  The first "designer" surfactant containing a covalently bound ruthenium catalyst is reported. This species dissolves freely in water, forming nanomicelles in which ring-closing metathesis reactions on water-insoluble dienic substrates can occur in pure water at room temperature. It can also be recycled continuously without reaction workup.

  DOI：

  10.1021/ol8027829

文献信息

• [EN] ETHERS AND ESTERS OF 1-SUBSTITUTED CYCLOALKANOLS FOR USE AS AROMA CHEMICALS<br/>[FR] ÉTHERS ET ESTERS DE CYCLOALCANOLS SUBSTITUÉS EN POSITION 1 DESTINÉS À ÊTRE UTILISÉS EN TANT QUE PRODUITS CHIMIQUES AROMATIQUES
  申请人：BASF SE

  公开号：WO2020079007A1

  公开（公告）日：2020-04-23

  The present invention relates to the use of an ether or an ester of a 1 -substituted cycloalkanol or of mixtures of two or more ethers or esters of 1 -substituted cycloalkanols or of a stereoisomer thereof or of a mixture of two or more stereoisomers thereof as aroma chemicals; to the use thereof for modifying the scent character of a fragranced composition; to an aroma chemical composition containing an ether or an ester of a 1 -substituted cycloalkanol or of mixtures of two or more ethers or esters of 1 -substituted cycloalkanols or of a stereoisomer thereof or of a mixture of two or more stereoisomers thereof; and to a method of preparing a fragranced composition or for modifying the scent character of a fragranced composition. The invention further relates to specific ethers or esters of 1 -substituted cycloalkanols.

  本发明涉及使用1-取代环烷醇的醚或酯，或两种或两种以上的1-取代环烷醇的醚或酯的混合物，或其立体异构体，或两种或两种以上的其立体异构体作为香气化学品的用途；用于修改香味组合物的气味特性；以及含有1-取代环烷醇的醚或酯，或两种或两种以上的1-取代环烷醇的醚或酯的混合物，或其立体异构体，或两种或两种以上的其立体异构体的香气化学品组合物；以及制备香味组合物或修改香味组合物的气味特性的方法。该发明还涉及特定的1-取代环烷醇的醚或酯。
• Trimethyl-acetyl octalins, process for making and fragrance compositions
  申请人：Givaudan Corporation

  公开号：US04162266A1

  公开（公告）日：1979-07-24

  Novel trimethyl-acetyl-octalins mixtures are prepared by a Diels-Alder-type reaction involving methyl vinyl ketone and compounds having the structure ##STR1## wherein one of the two lines denoted by dots represents an additional bond. The novel compounds possess unique and unexpected desirable olfactory properties.

  新型的三甲基乙酰辛烯混合物是通过Diels-Alder型反应制备的，该反应涉及甲基乙烯酮和具有以下结构的化合物：其中由点表示的两条线之一代表额外的键。这些新化合物具有独特和意想不到的令人满意的嗅觉性质。
• Marcou,A.; Normant,H., Bulletin de la Societe Chimique de France, 1965, p. 3491 - 3494
  作者：Marcou,A.、Normant,H.

  DOI：——

  日期：——
• Colonge,J.; Brunie,J.-C., Bulletin de la Societe Chimique de France, 1963, p. 42 - 46
  作者：Colonge,J.、Brunie,J.-C.

  DOI：——

  日期：——
• ETHERS AND ESTERS OF 1-SUBSTITUTED CYCLOALKANOLS FOR USE AS AROMA CHEMICALS
  申请人：BASF SE

  公开号：US20210340461A1

  公开（公告）日：2021-11-04

  The present invention relates to the use of an ether or an ester of a 1-substituted cycloalkanol or of mixtures of two or more ethers or esters of 1-substituted cycloalkanols or of a stereoisomer thereof or of a mixture of two or more stereoisomers thereof as aroma chemicals; to the use thereof for modifying the scent character of a fragranced composition; to an aroma chemical composition containing an ether or an ester of a 1-substituted cycloalkanol or of mixtures of two or more ethers or esters of 1-substituted cycloalkanols or of a stereoisomer thereof or of a mixture of two or more stereoisomers thereof; and to a method of preparing a fragranced composition or for modifying the scent character of a fragranced composition. The invention further relates to specific ethers or esters of 1-substituted cycloalkanols.