1-(5-甲基环己-3-烯基)乙酮 | 55169-94-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(5-甲基环己-3-烯基)乙酮
• 英文名称: 1-(5-methylcyclohex-3-enyl)ethanone
• 英文别名: 1-(5-Methylcyclohex-3-en-1-yl)ethanone
• CAS: 55169-94-3
• 化学式: C₉H₁₄O
• 分子量: 138.21
• InChiKey: SMFFYCMTESNKHN-UHFFFAOYSA-N

物化性质

• 沸点：
  193.5±29.0 °C(Predicted)
• 密度：
  0.915±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(2-甲基-环己-3-烯基)-乙酮 、 1-(5-甲基环己-3-烯基)乙酮 在 sodium tetrahydroborate 、 盐酸 、 水 作用下， 以 乙醇 为溶剂， 反应 1.0h， 生成 1-(5-methylcyclohex-3-enyl)ethanol 、 1-(2-甲基-环己-3-烯基)-乙醇
  参考文献：
  名称：

  [DE] ALICYCLISCHE ESTER MIT MOSCHUSGERUCH
  [EN] ALICYCLIC ESTER WITH MUSK FRAGRANCE
  [FR] ESTER ALICYCLIQUE SENTANT LE MUSC

  摘要：

  描述了一个形式为(I)或(II)的连接，其中在公式(I)和(II)中，R1是一个可能被取代的(a)支链或直链的C1至C5烷基基团，或(b)支链或直链的C2至C5亚烷基基团，或(c)C3至C5环烷基基团，在公式(II)中，虚线表示的键表示单键或双键。

  公开号：

  WO2005012222A1
• 作为产物：
  描述：

  间戊二烯 、 丁烯酮 在 aluminum (III) chloride 、 水 作用下， 反应 24.0h， 生成 1-(2-甲基-环己-3-烯基)-乙酮 、 1-(5-甲基环己-3-烯基)乙酮
  参考文献：
  名称：

  [DE] ALICYCLISCHE ESTER MIT MOSCHUSGERUCH
  [EN] ALICYCLIC ESTER WITH MUSK FRAGRANCE
  [FR] ESTER ALICYCLIQUE SENTANT LE MUSC

  摘要：

  描述了一个形式为(I)或(II)的连接，其中在公式(I)和(II)中，R1是一个可能被取代的(a)支链或直链的C1至C5烷基基团，或(b)支链或直链的C2至C5亚烷基基团，或(c)C3至C5环烷基基团，在公式(II)中，虚线表示的键表示单键或双键。

  公开号：

  WO2005012222A1

文献信息

• Highly regioselective diels-alder reactions of 2-trimethylsilylmethyl- and 2-trimethylstannylmethyl-1,3-butadiene
  作者：Akira Hosomi、Masaki Saito、Hideki Sakurai

  DOI：10.1016/s0040-4039(01)85471-x

  日期：1980.1
• COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION
  申请人：Ishida Kenya

  公开号：US20110117147A1

  公开（公告）日：2011-05-19

  The invention relates to a cooling sensation agent composition with a prolonged cool sensation effect comprising at least one compound selected from Formula (1) wherein each of A and B is a hydrogen atom or a hydrocarbon group which may have one or more substituents, in which A and B are not hydrogen atoms simultaneously, and the total number of carbon atoms in A and B is in the range of 6 to 18; and Formulae (2) to (4) wherein R1, R2, and R3 each represent a residue of an alcohol selected from 1-menthol, 1-isopulegol, 3-(1-menthoxy)propan-1,2-diol, 2-(1-menthoxy)ethan-1-ol, 3-(1-menthoxy)propan-1-ol, 2-methyl-3-(1-menthoxy)propan-1,2-diol and para-menthan-3,8-diol), and R4 represents a residue of a branched or straight-chain, cyclic or linear, or saturated or unsaturated alcohol having 6 to 18 carbon atoms that may have one or more aromatic rings that may have a condensed ring and substituent groups such as hydroxyl and ether groups; and R6 represents a hydrocarbon group having 11 to 19 carbon atoms that may be branched and contain one or more unsaturated bonds. The invention also relates to a sensory stimulation agent composition comprising the cooling sensation agent composition; a flavor or fragrance composition, a beverage or food product, a perfume or cosmetic product, a toiletry product, a daily utensil product or grocery, a fiber, a fiber product, a cloth or a medicine comprising the cooling sensation agent composition or the sensory stimulation agent composition; a production method thereof; a cooling processing method of a fiber, fiber product or a cloth, comprising compounding the cooling sensation agent composition or the sensory stimulation agent composition; and new compounds.
• US8632792B2
  申请人：——

  公开号：US8632792B2

  公开（公告）日：2014-01-21
• [EN] COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION<br/>[FR] COMPOSITION D'AGENT DE SENSATION DE FRAÎCHEUR ET COMPOSITION D'AGENT DE STIMULATION SENSORIELLE
  申请人：TAKASAGO PERFUMERY CO LTD

  公开号：WO2009123355A2

  公开（公告）日：2009-10-08

  The invention relates to a cooling sensation agent composition with a prolonged cool sensation effect comprising at least one compound selected from Formula (1) wherein each of A and B is a hydrogen atom or a hydrocarbon group which may have one or more substituents, in which A and B are not hydrogen atoms simultaneously, and the total number of carbon atoms in A and B is in the range of 6 to 18; and Formulae (2) to (4) wherein R1, R2, and R3 each represent a residue of an alcohol selected from l-menthol, l-isopulegol, 3-(l-menthoxy)propan-1,2-diol, 2-(l-menthoxy)ethan-1-ol, 3-(l-menthoxy)propan-1-ol, 2-methyl-3-(l-menthoxy)propan-1,2-diol and para-menthan-3,8-diol), and R4 represents a residue of a branched or straight-chain, cyclic or linear, or saturated or unsaturated alcohol having 6 to 18 carbon atoms that may have one or more aromatic rings that may have a condensed ring and substituent groups such as hydroxyl and ether groups; and R6 represents a hydrocarbon group having 11 to 19 carbon atoms that may be branched and contain one or more unsaturated bonds. The invention also relates to a sensory stimulation agent composition comprising the cooling sensation agent composition; a flavor or fragrance composition, a beverage or food product, a perfume or cosmetic product, a toiletry product, a daily utensil product or grocery, a fiber, a fiber product, a cloth or a medicine comprising the cooling sensation agent composition or the sensory stimulation agent composition; a production method thereof; a cooling processing method of a fiber, fiber product or a cloth, comprising compounding the cooling sensation agent composition or the sensory stimulation agent composition; and new compounds.
• [DE] ALICYCLISCHE ESTER MIT MOSCHUSGERUCH<br/>[EN] ALICYCLIC ESTER WITH MUSK FRAGRANCE<br/>[FR] ESTER ALICYCLIQUE SENTANT LE MUSC
  申请人：SYMRISE GMBH & CO KG

  公开号：WO2005012222A1

  公开（公告）日：2005-02-10

  Beschrieben wird eine Verbindung der Formel (I) oder (II) wobei in den Formeln (I) und (II) R1 eine gegebenenfalls substituierte (a) verzweigte oder unverzweigte C1 bis C5 Alkylgruppe oder (b) verzweigte oder unverzweigte C2 bis C5 Alkylengruppe oder (c) C3 bis C5 Cycloalkylgruppe ist und in Formel (II) die gestrichelt dargestellte Bindung eine Einfach- oder Doppelbindung bedeutet.

  描述了一个形式为(I)或(II)的连接，其中在公式(I)和(II)中，R1是一个可能被取代的(a)支链或直链的C1至C5烷基基团，或(b)支链或直链的C2至C5亚烷基基团，或(c)C3至C5环烷基基团，在公式(II)中，虚线表示的键表示单键或双键。