2,6,6-trimethyl-cyclohex-3-enecarbaldehyde | 91056-62-1

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机氧化物
• 英文名称: 2,6,6-trimethyl-cyclohex-3-enecarbaldehyde
• 英文别名: 1.1.3-Trimethyl-2-methylal-cyclohexen-(4)；2,6,6-Trimethyl-cyclohex-3-encarbaldehyd；Pseudocyclocitral；2.2.6-Trimethyl-Δ⁴-tetrahydrobenzaldehyd；2,6,6-Trimethylcyclohex-3-ene-1-carbaldehyde；2,6,6-trimethylcyclohex-3-ene-1-carbaldehyde
• CAS: 91056-62-1
• 化学式: C₁₀H₁₆O
• 分子量: 152.236
• InChiKey: BTWUQYXRVLEFBW-UHFFFAOYSA-N

物化性质

• 沸点：
  193.4±29.0 °C(Predicted)
• 密度：
  0.924±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 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：

  2,6,6-trimethyl-cyclohex-3-enecarbaldehyde 在 氯化铵 、 三苯基膦 、 nickel dichloride 、 锌 作用下， 以 甲苯 为溶剂， 反应 1.7h， 以97.5%的产率得到alpha-环柠檬醛
  参考文献：
  名称：

  一种α-环柠檬醛的合成方法

  摘要：

  本发明公开了一种α‑环柠檬醛的合成方法，该方法包括：1)1,3‑戊二烯和异戊烯醛，在路易斯酸的催化下进行Diels‑Alder反应得到2,6,6‑三甲基‑3‑环己烯基甲醛粗品；2)将步骤1)所得2,6,6‑三甲基‑3‑环己烯基甲醛粗品在催化剂催化下发生异构化反应生成α‑环柠檬醛粗品。本发明的方法反应原料易得，条件温和，易于控制且无副产物生成，工序简单，有利于工业化生产，绿色环保。

  公开号：

  CN108101760B
• 作为产物：
  描述：

  2,6,6-trimethyl-cyclohex-3-enecarboxylic acid 生成 2,6,6-trimethyl-cyclohex-3-enecarbaldehyde
  参考文献：
  名称：

  Merling, Chemische Berichte, 1908, vol. 41, p. 2064,2066

  摘要：

  DOI：

文献信息

• Merling; Welde, Justus Liebigs Annalen der Chemie, 1909, vol. 366, p. 140
  作者：Merling、Welde

  DOI：——

  日期：——
• DE164505
  申请人：——

  公开号：——

  公开（公告）日：——
• 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.