3,6-dimethyl-heptanal | 41096-95-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,6-dimethyl-heptanal
• 英文别名: 3,6-Dimethylheptan-1-al；3,6-dimethylheptanal
• CAS: 41096-95-1
• 化学式: C₉H₁₈O
• 分子量: 142.241
• InChiKey: MKYRNEMQGVHWME-UHFFFAOYSA-N

物化性质

• 沸点：
  177.8±8.0 °C(Predicted)
• 密度：
  0.812±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 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：

  3,6-dimethyl-heptanal 在 吡啶 、 4-二甲氨基吡啶 作用下， 以 四氢呋喃 、 环己烷 为溶剂， 反应 14.0h， 生成 Acetic acid 1-(chloro-trimethylsilanyl-methyl)-3,6-dimethyl-heptyl ester
  参考文献：
  名称：

  Synthesis of (Z)-Vinylsilanes with High Diastereoselectivity by Using Samarium Diiodide

  摘要：

  [GRAPHICS]Beta-Elimination of O-acetyl 1-chloro-1-trimethylsilylalkan-2-ols 1 was achieved by using samarium diiodide as a metaling reagent and afforded the corresponding (Z)-vinylsilanes with high stereoselectivity. The starting compounds 1 were easily prepared by treatment of different aldehydes with (chlorolithiomethyl)trimethylsilane and further acetylation.

  DOI：

  10.1021/ol015601p
• 作为产物：
  描述：

  甲氧基甲基三苯基氯化膦 、 苯基锂 、 2,5-二甲基-己醛 在 氮气 、 四氢呋喃 、 盐酸 作用下， 以 乙醚 为溶剂， 反应 60.17h， 以to yield 3,6-dimethylheptan-1-al which的产率得到3,6-dimethyl-heptanal
  参考文献：
  名称：

  Aliphatic hydrocarbon 2,4-dienoic acids, esters and derivatives thereof

  摘要：

  新型的脂肪族双烯基羧酸、酯类、硫酯类及其衍生物，其中间体、合成方法以及控制昆虫的方法。

  公开号：

  US04021461A1

文献信息

• ALDEHYDE COMPOUNDS AND THEIR USE IN PERFUME COMPOSITIONS
  申请人：Closson, Adam P.

  公开号：EP3072876A1

  公开（公告）日：2016-09-28

  The present invention is directed to aldehyde compounds and a method of improving, enhancing or modifying a fragrance formulation through the addition of an olfactory acceptable amount of the aldehyde compounds.

  本发明涉及醛类化合物，以及通过添加嗅觉可接受量的醛类化合物来改进、提高或改变香料配方的方法。
• Aldehyde compounds and their use in perfume compositions
  申请人：INTERNATIONAL FLAVORS & FRAGRANCES INC

  公开号：US10150722B2

  公开（公告）日：2018-12-11

  The present invention is directed to novel aldehyde compounds and a method of improving, enhancing or modifying a fragrance formulation through the addition of an olfactory acceptable amount of the novel aldehyde compounds.

  本发明涉及新型醛化合物和一种通过添加嗅觉可接受量的新型醛化合物来改进、提高或改变香料配方的方法。
• Process for hydrogenation of conjugated diene polymer
  申请人：——

  公开号：US20040082727A1

  公开（公告）日：2004-04-29

  A process for hydrogenation of a conjugated diene polymer. The conjugated diene polymer in an inert organic solvent is brought into contact with hydrogen in the presence of a hydrogenation catalyst composition to selectively hydrogenate the unsaturated double bonds in the conjugated diene units of the conjugated diene polymer. The hydrogenation catalyst composition includes: (I) a titanium compound; (II) a compound represented by formula (II): 1 wherein L is a Group IVB element, R is C 1 -C 12 alkyl or C 1 -C 12 cycloalkyl, X can be the same or different and is C 1 -C 12 alkyl, C 1 -C 12 alkoxy, C 1 -C 12 cycloalkoxy, halogen, or carbonyl; and (III) a trialkylaluminum compound.
• Hydrogenation catalyst composition and process for hydrogenation of conjugated diene polymer
  申请人：Lin Fu

  公开号：US20060041079A1

  公开（公告）日：2006-02-23

  A process for hydrogenation of an unsaturated polymer. The conjugated diene polymer in an inert organic solvent is brought into contact with hydrogen in the presence of a hydrogenation catalyst composition to selectively hydrogenate the unsaturated double bonds in the conjugated diene units of the conjugated diene polymer. The hydrogenation catalyst composition includes: (a) a titanium compound; (b) a compound represented by formula (II) or formula (III): wherein L 1 is a Group IVA element, L 2 is a Group IVA element, R 3 is C 1 -C 12 alkyl or C 1 -C 12 cycloalkyl, R 4 is C 2 -C 12 alkyl or C 3 -C 12 cycloalkyl, and X 1 , X 2 , and X 3 can be the same or different and are C 1 -C 12 alkyl, C 1 -C 12 alkoxy, C 1 -C 12 cycloalkoxy, phenyl, or phenoxy; and (c) a trialkylaluminum compound.
• 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.