1,2,3,4,5,6,7,8,9,10-十氢化-10-甲基-5,9-亚甲基苯并环辛烯-11-酮 | 22690-27-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1,2,3,4,5,6,7,8,9,10-十氢化-10-甲基-5,9-亚甲基苯并环辛烯-11-酮
• 英文名称: (+/-)-(1R^*,8R^*,9S^*)-8-methyltricyclo<7.3.1.0^2,7>tridec-2,7-en-13-one
• 英文别名: Methyltricyclohexenon；5,9-Methanobenzocycloocten-11-one, 1,2,3,4,5,6,7,8,9,10-decahydro-10-methyl-；8-methyltricyclo[7.3.1.02,7]tridec-2(7)-en-13-one
• CAS: 22690-27-3
• 化学式: C₁₄H₂₀O
• 分子量: 204.312
• InChiKey: WJPULIHSNITDMU-UHFFFAOYSA-N

物化性质

• 熔点：
  128 °C
• 沸点：
  98 °C(Press: 0.3 Torr)
• 密度：
  1.04±0.1 g/cm3(Predicted)
• LogP：
  3.504 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2914399090

反应信息

• 作为反应物：
  描述：

  1,2,3,4,5,6,7,8,9,10-十氢化-10-甲基-5,9-亚甲基苯并环辛烯-11-酮 、 亚磷酸二乙酯 、 sodium ethanolate 以70%的产率得到
  参考文献：
  名称：

  VYSOTSKIJ V. I.; VYSOTSKAYA T. A.; MASLENNIKOVA I. G.; TILICHENKO M. N., ZH. OBSHCH. XIMII, 1979, 49, HO 11, 2629-2630

  摘要：

  DOI：
• 作为产物：
  描述：

  4-Methyl-2,3-tetramethylenbicyclo<3.3.1>nonanon-(9)-ol-(2) 在 磷酸 作用下， 生成 1,2,3,4,5,6,7,8,9,10-十氢化-10-甲基-5,9-亚甲基苯并环辛烯-11-酮 、 8-Methyl-tricyclo[7.3.1.0^2,7]tridec-2-en-13-one
  参考文献：
  名称：

  摘要：

  Dehydration of 2-hydroxy-8-R-tricyclo[7.3.1.0(2.7)]tridecan-13-ones (R = H, Me, Ph) effected by various reagents provided 8-R-tricyclo[7.3.1.0(2.7)] tridecen-13-ones with different positions of the double bond. In the presence of phosphoric acid arise isomers with the double bond in 2(3) position, a mixture of hydrochloric and acetic acid primarily affords isomers with the double bond in 2(7) position that further migrates into 7(8) position at R = Me, Ph.

  DOI：

  10.1023/a:1013423205456

文献信息

• XARCHENKO V. G.; BLINOXVATOV A. F., XIMIYA GETEROTSIKL. SOEDIN., 1978, HO 12, 1615-1619
  作者：XARCHENKO V. G.、 BLINOXVATOV A. F.

  DOI：——

  日期：——
• Cocker, Wesley; Shannon, Patrick V. R., Journal of Chemical Research, Miniprint, 1990, # 4, p. 801 - 832
  作者：Cocker, Wesley、Shannon, Patrick V. R.

  DOI：——

  日期：——
• SILICONE COMPOUNDS
  申请人：The Procter & Gamble Company

  公开号：EP3649183A1

  公开（公告）日：2020-05-13
• [EN] SILICONE COMPOUNDS<br/>[FR] COMPOSÉS DE SILICONE
  申请人：PROCTER & GAMBLE

  公开号：WO2019010263A1

  公开（公告）日：2019-01-10

  Silicone compounds, delivery compositions, compositions, packaged products and displays comprising such silicone compounds, and processes for making and using such benefit agent delivery compositions, compositions, packaged products and displays. Such compositions have improved deposition and retention properties that may impart improved benefit characteristics to a composition and/or situs. Such silicone compounds solve the further problem of malodor reduction as, in addition to maldor masking, such compounds block a malodor's access to a sensory cell, yet leave such sensor cell open to other molecules, for example scent molecules. Thus, the malodor control technologies disclosed herein do not unduly interfere with the scent of the perfumed or unperfumed situs that is treated with the malodor control technology.
• ——
  作者：M. F. Rostovskaya、T. A. Vysotskaya、V. P. Grigorchuk、V. I. Vysotskii

  DOI：10.1023/a:1013423205456

  日期：——

  Dehydration of 2-hydroxy-8-R-tricyclo[7.3.1.0(2.7)]tridecan-13-ones (R = H, Me, Ph) effected by various reagents provided 8-R-tricyclo[7.3.1.0(2.7)] tridecen-13-ones with different positions of the double bond. In the presence of phosphoric acid arise isomers with the double bond in 2(3) position, a mixture of hydrochloric and acetic acid primarily affords isomers with the double bond in 2(7) position that further migrates into 7(8) position at R = Me, Ph.