tert-octyl n-amyl ether | 508181-43-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: tert-octyl n-amyl ether
• 英文别名: n-pentyl 1,1,3,3-tetramethylbutyl ether；Pentyl tert-octyl ether；2,2,4-trimethyl-4-pentoxypentane
• CAS: 508181-43-9
• 化学式: C₁₃H₂₈O
• 分子量: 200.365
• InChiKey: ZNFVRHLUNVCECG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  14
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  异辛烯 、 戊醇 在 Amberlyst 15 sulphonic acid functionalized ion exchange resin H⁺ form 作用下， 反应 24.0h， 以31.4 g的产率得到tert-octyl n-amyl ether
  参考文献：
  名称：

  [EN] ETHER COMPOUNDS AS VOLATILES FOR THE TREATMENT OF AMINO ACID BASED SUBSTRATES, SUCH AS SKIN AND HAIR
  [FR] COMPOSÉS ÉTHER UTILISÉS COMME SUBSTANCES VOLATILES POUR LE TRAITEMENT DE SUBSTRATS À BASE D'ACIDES AMINÉS, TELS QUE LA PEAU ET LES CHEVEUX

  摘要：

  The present invention relates to a compound for use in cosmetic compositions of the formula (I): R1-O-R2, wherein R1and R2are different from each other and are independently selected from the group of C1-C17 hydrocarbyl residues, said hydrocarbyl residues contain up to 8 CH3groups and up to 3 ether groups (-O-), and wherein the total number of carbon atoms of said compounds is 10 to 20, the total number of ether groups of said compounds is 1 to 6, and the total number of methyl groups (-CH3) of said compounds is 1 to 13, at least one of R1and R2is a branched C3-C17 hydrocarbyl residue, in particular, as so-called volatiles in skin care and hair care compositions, as well as cosmetic compositions comprising at least one of said ether compounds, and the use of the aforementioned ether compounds in cosmetic compositions.

  公开号：

  WO2022152742A1