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.