3-甲基苯甲酸环戊酯 | 6640-84-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-甲基苯甲酸环戊酯
• 英文名称: cyclopentyl 3-toluate
• 英文别名: Cyclopentyl 3-methylbenzoate
• CAS: 6640-84-2
• 化学式: C₁₃H₁₆O₂
• 分子量: 204.269
• InChiKey: ZUECAGOCYJBSDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  环戊醇 、 间甲基苯甲酸 在 Lewis acid catalyst 作用下， 以92%的产率得到3-甲基苯甲酸环戊酯
  参考文献：
  名称：

  [EN] SOLUBILIZING AGENTS FOR FUNCTIONAL ACTIVE COMPOUNDS
  [FR] AGENTS SOLUBILISANTS POUR COMPOSÉS ACTIFS FONCTIONNELS

  摘要：

  一种光保护性局部组合物，包括：（i）至少一种功能活性物质；和（ii）具有以下结构的至少一种溶解化合物（I）：其中R为C5-C10环烷基或直链或支链烷基环烷基，其中环大小为C5-C7；R1、R2和R3分别独立地选择自H、直链或支链C1-C4烷基的群，但至少两个R1、R2、R3为H；其中所述溶解化合物以有效量存在，以溶解所述功能活性物质。还公开了一种使用有效量的组合物治疗皮肤、嘴唇、指甲、头发、耳朵、睫毛、眉毛和/或头皮的方法。

  公开号：

  WO2016201260A1

文献信息

• Solubilizing agents for active or functional organic compounds
  申请人：ISP INVESTMENTS LLC

  公开号：US10328003B2

  公开（公告）日：2019-06-25

  A photo protective topical composition, comprising: (i) at least one functional active; and (ii) at least one solubilizing compound having the structure of Formula I: wherein R is C5-C10 cycloalkyl or linear or branched alkylcycloalkyl, wherein the ring size is C5-C7; R1, R2, and R3 are each independently selected from the group consisting of H, and linear or branched C1-C4 alkyl, provided that at least two of R1, R2, R3 are H; wherein the solubilizing compound is present in an amount effective to solubilize said functional active. Also disclosed is a method for treating skin, lips, nails, hair, ears, eyelashes, eyebrows and/or scalp with an effective amount of composition.

  一种光保护外用组合物，包含：(i) 至少一种功能性活性物质；和 (ii) 至少一种具有式 I 结构的增溶剂化合物： 其中 R 是 C5-C10 环烷基或直链或支链烷基环烷基，其中环的大小是 C5-C7；R1、R2 和 R3 各自独立地选自 H 和直链或支链 C1-C4 烷基组成的组，条件是 R1、R2、R3 中至少有两个是 H；其中增溶化合物的存在量能有效增溶所述功能性活性物质。还公开了一种用有效量的组合物治疗皮肤、嘴唇、指甲、头发、耳朵、睫毛、眉毛和/或头皮的方法。
• SOLUBILIZING AGENTS FOR FUNCTIONAL ACTIVE COMPOUNDS
  申请人：ISP Investments LLC

  公开号：EP3307395A1

  公开（公告）日：2018-04-18
• SOLUBILISING AGENTS FOR UV SCREENING COMPOUNDS
  申请人：ISP Investments LLC

  公开号：EP3307395B1

  公开（公告）日：2020-08-05
• SOLUBILIZING AGENTS FOR ACTIVE OR FUNCTIONAL ORGANIC COMPOUNDS
  申请人：ISP INVESTMENTS LLC.

  公开号：US20180168970A1

  公开（公告）日：2018-06-21

  A photo protective topical composition, comprising: (i) at least one functional active; and (ii) at least one solubilizing compound having the structure of Formula I: wherein R is C 5 -C 10 cycloalkyl or linear or branched alkylcycloalkyl, wherein the ring size is C 5 -C 7 ; R 1 , R 2 , and R 3 are each independently selected from the group consisting of H, and linear or branched C 1 -C 4 alkyl, provided that at least two of R 1 , R 2 , R 3 are H; wherein the solubilizing compound is present in an amount effective to solubilize said functional active. Also disclosed is a method for treating skin, lips, nails, hair, ears, eyelashes, eyebrows and/or scalp with an effective amount of composition.
• [EN] SOLUBILIZING AGENTS FOR FUNCTIONAL ACTIVE COMPOUNDS<br/>[FR] AGENTS SOLUBILISANTS POUR COMPOSÉS ACTIFS FONCTIONNELS
  申请人：ISP INVESTMENTS INC

  公开号：WO2016201260A1

  公开（公告）日：2016-12-15

  A photo protective topical composition, comprising: (i) at least one functional active; and (ii) at least one solubilizing compound having the structure of Formula (I): wherein R is C5-C10 cycloalkyl or linear or branched alkylcycloalkyl, wherein the ring size is C5-C7; R1, R2, and R3 are each independently selected from the group consisting of H, and linear or branched C1-C4 alkyl, provided that at least two of R1, R2, R3 are H; wherein the solubilizing compound is present in an amount effective to solubilize said functional active. Also disclosed is a method for treating skin, lips, nails, hair, ears, eyelashes, eyebrows and/or scalp with an effective amount of composition.

  一种光保护性局部组合物，包括：（i）至少一种功能活性物质；和（ii）具有以下结构的至少一种溶解化合物（I）：其中R为C5-C10环烷基或直链或支链烷基环烷基，其中环大小为C5-C7；R1、R2和R3分别独立地选择自H、直链或支链C1-C4烷基的群，但至少两个R1、R2、R3为H；其中所述溶解化合物以有效量存在，以溶解所述功能活性物质。还公开了一种使用有效量的组合物治疗皮肤、嘴唇、指甲、头发、耳朵、睫毛、眉毛和/或头皮的方法。