2-cyclohexylhepta-1,6-dien-3-one | 313973-37-4

• 物质功能分类: 有机原料 - 酮类化合物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-cyclohexylhepta-1,6-dien-3-one
• 英文别名: 2-cyclohexyl-1,6-heptadien-3-one；Pharaone；1,6-Heptadien-3-one, 2-cyclohexyl-
• CAS: 313973-37-4
• 化学式: C₁₃H₂₀O
• 分子量: 192.301
• InChiKey: WJWBVJLPGOYBGM-UHFFFAOYSA-N

物化性质

• 沸点：
  284.4±19.0 °C(Predicted)
• 密度：
  0.914±0.06 g/cm3(Predicted)
• LogP：
  3.520

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  环己基乙醛 在 manganese(IV) oxide 、 硫酸 、 二乙胺 作用下， 以 乙醚 、 正己烷 为溶剂， 反应 96.0h， 生成 2-cyclohexylhepta-1,6-dien-3-one
  参考文献：
  名称：

  Substituted hepta-1,6-dien-3-ones with green/fruity odours green/galbanum olfactophore model

  摘要：

  Following an analysis of available SAR data on green/galbanum-smelling molecules, a series of new 2-substituted hepta-1,6-dien-3-ones and their analogues were prepared and their olfactory properties evaluated. The study allowed to select efficient new odourants-potential substitutes for natural galbanum oil-and to generate an olfactophore model for the green/galbanum note. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(03)00189-5

文献信息

• [EN] ALPHA-SILYL ALCOHOLS POSSESSING OLFACTORY PROPERTIES REMINISCENT OF PATCHOULI OIL<br/>[FR] ALCOOLS ALPHA-SILYLIQUES POSSÉDANT DES PROPRIÉTÉS OLFACTIVES RAPPELANT L'ESSENCE DE PATCHOULI
  申请人：GIVAUDAN SA

  公开号：WO2010121979A1

  公开（公告）日：2010-10-28

  The present invention refers to si la-substituted carbinols of formula (I) wherein R1, R2 and R3 are independently selected from C1 - C4 alkyl and C3- C4 cycloalkyl; R4 is methyl or ethyl; and R5 is methyl or ethyl. The invention further refers their preparation and to perfume compositions and fragrance applications comprising them.

  本发明涉及式（I）的si la取代的碳醇，其中R1、R2和R3分别选自C1-C4烷基和C3-C4环烷基；R4为甲基或乙基；R5为甲基或乙基。本发明进一步涉及它们的制备，以及包含它们的香水组合物和香料应用。
• KETONES AS PERFUMING INGREDIENTS
  申请人：Chapuis Christian

  公开号：US20110014143A1

  公开（公告）日：2011-01-20

  The present invention relates to the field of perfumery and concerns the use as perfuming ingredient of ketones of formula wherein n represents 0, 1 or 2, m represents 0, 1 or 2, the dotted lines represent only single bonds or one double bond and two single bonds, R 1 represents a hydrogen atom or a methyl or ethyl group, said R 1 group being located at any of the position of the cyclic moiety, R 2 represents a C 1 -C 3 O-alkyl or O-alkenyl group or a substituted or unsubstituted ethylene or cyclopropyl group. Said compounds are useful to impart a clean and natural fruity, pineapple odor type. The present invention concerns also the compositions or articles containing said compounds (I) as well as some of said compounds (I).

  本发明涉及香料领域，涉及使用以下式中的酮作为香料成分，其中n代表0、1或2，m代表0、1或2，点线代表仅有单键或一个双键和两个单键，R1代表氢原子或甲基或乙基基团，该R1基团位于环状基团的任意位置，R2代表C1-C3O-烷基或O-烯基基团或取代或未取代的乙烯或环丙基基团。这些化合物有助于赋予清新和自然的水果、菠萝气味类型。本发明还涉及含有所述化合物(I)的组合物或制品，以及其中的一些化合物(I)。
• [EN] CYCLOHEXENE- AND CYCLOPROPANATED CYCLOHEXENE - DERIVATIVES AS FRAGRANCES<br/>[FR] DÉRIVÉS DE CYCLOHEXÈNE ET DE CYCLOHEXÈNE CYCLOPROPANÉ SERVANT DE PARFUMS
  申请人：GIVAUDAN SA

  公开号：WO2012020076A1

  公开（公告）日：2012-02-16

  1-(3/4-isobutyl-1/6-methylcyclohex-3-enyl)methanols and derivatives thereof having appreciable floral and hesperidic odor notes, their use as fragrance ingredient and perfumed products comprising them.

  具有明显花香和柑橘香气的1-(3/4-异丁基-1/6-甲基环己-3-烯基)甲醇及其衍生物，其作为香料成分的用途以及包含它们的香水产品。
• 6-methoxy-2,6-dimethyloctanal and its use as a fragrance ingredient
  申请人：Givaudan S.A.

  公开号：EP1764355A1

  公开（公告）日：2007-03-21

  6-Methoxy-2,6-dimethyloctanal, a method of its production and fragrance compositions comprising it.

  6-甲氧基-2,6-二甲基辛醛，其生产方法和含有它的香精组合物。
• BICYCLO-KETONES AS PERFUMING INGREDIENTS
  申请人：Birkbeck Anthony A.

  公开号：US20130045906A1

  公开（公告）日：2013-02-21

  A compound and a method to confer, enhance, improve or modify the odor properties of a perfuming composition or of a perfumed article, to confer a green allylic, glycolate and fruity-pineapple odor, by adding the compound thereto. The compound has formula (I): wherein the dotted line represents a carbon-carbon single bond or a carbon-carbon double bond; one R 1 represents a hydrogen atom and the other represents a hydrogen atom or a methyl or ethyl group; X representing a C═CH 2 or C═CHCH 3 group or a CHR 2 group, each R 2 representing a hydrogen atom or a methyl or ethyl group; and R 3 represents a a group of formula CR 4 ═C(R 4 ) 2 , or a group of formula each R 4 representing a hydrogen atom or a methyl or ethyl group. The compound is in the form of a pure enantiomer or a mixture thereof.

  一种化合物和一种方法，用于赋予、增强、改善或修改香水组合物或香水制品的气味特性，以赋予绿色烯丙基、乙二醇酸盐和水果菠萝的气味，通过向化合物中添加该化合物。该化合物的化学式为（I）：其中虚线表示碳-碳单键或碳-碳双键；一个R1代表氢原子，另一个代表氢原子或甲基或乙基基团；X代表C═CH2或C═CHCH3基团或CHR2基团，每个R2代表氢原子或甲基或乙基基团；R3代表CR4═C(R4)2基团或基团，其中每个R4代表氢原子或甲基或乙基基团。该化合物为纯对映体或其混合物形式。