4-hydroxy-3-methyl-2-octanone | 460355-55-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-hydroxy-3-methyl-2-octanone
• 英文别名: 4-Hydroxy-3-methyloctan-2-one
• CAS: 460355-55-9
• 化学式: C₉H₁₈O₂
• 分子量: 158.241
• InChiKey: UXIPBAZQDPRBCT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 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：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-hydroxy-3-methyl-2-octanone 在 sodium hypochlorite 、 4-(benzyloxycarbonyl)-2,2,6,6-tetramethylpiperidine-1-oxyl 、 碳酸氢钠 、 potassium bromide 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 2.0h， 生成 3-methyloctane-2,4-dione
  参考文献：
  名称：

  New Oxidation of β-Hydroxy α-Methyl Ketones:  A Convenient Synthesis of 3-Methylalkane-2,4-diones

  摘要：

  The synthesis of 3-methylalkane-2,4-diones, which are intense strawlike and fruit-flavored compounds, has been performed by the aldol condensation of n-alkanal (C2-C7) and methyl ethyl ketone to give 4-hydroxy-3-methyl-2-alkanones in 31-72% yield, followed by oxidation using sodium hypochlorite in the presence of 4-benzoyloxy-2,2,6,6-tetramethyl-piperidine-N-oxide in 60-86% yield.

  DOI：

  10.1021/op020029i
• 作为产物：
  描述：

  正戊醛 、 丁酮 在 氢氧化钾 作用下， 生成 4-hydroxy-3-methyl-2-octanone
  参考文献：
  名称：

  The Condensation of 2-Butanone with Normal Aliphatic Aldehydes¹

  摘要：

  DOI：

  10.1021/ja01330a048

文献信息

• [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.