4-Ethyl-hex-4-en-carbonsaeure | 25456-28-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 4-Ethyl-hex-4-en-carbonsaeure
• 英文别名: 4-Ethylhex-4-enoic acid
• CAS: 25456-28-4
• 化学式: C₈H₁₄O₂
• mdl: MFCD19236910
• 分子量: 142.198
• InChiKey: AHICPIKPYLMFNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.625
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• Fermentation process for preparing 10-hydroxy-C18-carboxylic acid and gamma-dodecalactone derivatives
  申请人：INTERNATIONAL FLAVORS & FRAGRANCES INC.

  公开号：EP0578388A2

  公开（公告）日：1994-01-12

  Described is a fermentation process for preparing 10-hydroxy-C18-carboxylic acid derivative containing compositions containing compounds defined according to the structure : and gamma-dodecalactone derivative-containing compositions containing compounds defined according to the structure : wherein the dashed lines represent the same or different carbon-carbon bonds; with each of the dashed lines representing a carbon-carbon single bond or a carbon-carbon double bond, products produced thereby and organoleptic uses thereof including uses for augmenting, enhancing or imparting aromas or flavors to or in consumable materials including but not limited to perfume compositions, colognes, perfumed articles, foodstuffs, chewing gums, beverages, toothpastes, hair preparations, tobacco compositions and smoking tobacco articles.

  所描述的是一种发酵工艺，用于制备含有 10-羟基-C18-羧酸衍生物的组合物，该组合物含有根据......结构定义的化合物： 和含有γ-十二内酯衍生物的组合物，其中含有根据结构......定义的化合物： 其中虚线代表相同或不同的碳-碳键；每条虚线代表一个碳-碳单键或一个碳-碳双键，由此生产的产品及其感官用途，包括用于增加、提高或赋予消费品的香气或味道，消费品包括但不限于香水组合物、古龙水、香水制品、食品、口香糖、饮料、牙膏、头发制剂、烟草组合物和烟草制品。
• ALKALI-SOLUBLE POLYMER AND POLYMERIZABLE COMPOSITION THEREOF
  申请人：FUJIFILM Corporation

  公开号：EP3051349A1

  公开（公告）日：2016-08-03

  The present invention relates to a polymer, which contains a structural unit having a carboxyl group represented by the following formula (1) at a side chain of the structural unit, and which comprises an acid group represented by the following formula (4) having an acid dissociation constant (pKa) of from 0 to 11 at a side chain of the polymer:          P-X3-(A2-H)m     (4) wherein in formula (1), R1 represents a hydrogen atom or a methyl group; R2 represents an (n+1)-valent organic linking group containing an ester group represented by -O(C=O)-; A represents an oxygen atom or NR3-; R3 represents a hydrogen atom, or an monovalent hydrocarbon group having from 1 to 10 carbon atoms; and n indicates an integer of from 1 to 5; and in formula (4), X3 represents a single bond that directly links to a main chain of the polymer, or a linking group selected from a group consisting of a carboxylic acid ester group (-COO-), an amido group (-CONH-), a hydrocarbon group and an ether group (-O-or -S-); A2-H represents a partial structure that functions as an acid group having an acid dissociation constant (pKa) of from 0 to 11; and m indicates an integer of from 1 to 5.

  本发明涉及一种聚合物，它包含一个结构单元，该结构单元的侧链上有一个下式（1）表示的羧基，该聚合物的侧链上包含一个下式（4）表示的酸基，该酸基的酸解离常数（pKa）为 0 至 11： P-X3-(A2-H)m (4) 其中，在式 (1) 中，R1 代表氢原子或甲基；R2 代表 (n+1)- 价有机连接基团，其中含有由 -O(C=O)- 表示的酯基；A 代表氧原子或 NR3-；R3 代表氢原子或具有 1 至 10 个碳原子的一价烃基；n 表示 1 至 5 的整数； 在式 (4) 中，X3 代表直接连接聚合物主链的单键，或选自羧酸酯基 (-COO-)、氨基 (-CONH-)、烃基和醚基 (-O- 或 -S-) 的连接基团；A2-H 代表作为酸基的部分结构，其酸解离常数 (pKa) 为 0 至 11；m 表示 1 至 5 的整数。