2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate;ethanol

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate;ethanol
• 化学式: C21H26O5
• 分子量: 358.4
• InChiKey: QJFOWOJCXCOQBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.0
• 重原子数：
  26
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• Isocyanate composition, method for producing isocyanate composition, and method for producing isocyanate polymer
  申请人：ASAHI KASEI KABUSHIKI KAISHA

  公开号：US11118001B2

  公开（公告）日：2021-09-14

  An isocyanate composition according to the present invention contains an isocyanate compound of formula (1) and/or (2) (wherein R1 represents a hydrogen or a monovalent organic group, and R2 represents a monovalent organic group), and, relative to the total mass of the isocyanate compound in the composition, 1.0 ppm by mass to 10% by mass of a compound of formula (3): R13—(COO—R14)a (wherein R13 represents an organic group with a valence of a, R14 represents a monovalent organic group, and a represents an integer of 1 or 2), which is different from the isocyanate compound, and/or, 1.0 ppm by mass to 10% by mass of a compound having an UV absorption in an area of decamer or higher isocyanates in a measurement spectrum of gel permeation chromatography.

  根据本发明的异氰酸酯组合物含有式(1)和/或(2)的异氰酸酯化合物(其中 R1 代表氢或一价有机基团，R2 代表一价有机基团)，以及相对于组合物中异氰酸酯化合物的总质量，1.0ppm(质量)至 10%(质量)的式(3)化合物：R13-(COO-R14)a（其中 R13 代表价数为 a 的有机基团，R14 代表一价有机基团，a 代表 1 或 2 的整数），该化合物与异氰酸酯化合物不同，和/或，在凝胶渗透色谱法的测量光谱中，在十聚体或更高异氰酸酯区域具有紫外吸收的化合物的质量百分比为 1.0 ppm 至 10%。
• ISOCYANATE COMPOSITION, METHOD FOR PRODUCING ISOCYANATE COMPOSITION, AND METHOD FOR PRODUCING ISOCYANATE POLYMER
  申请人：ASAHI KASEI KABUSHIKI KAISHA

  公开号：US20200048403A1

  公开（公告）日：2020-02-13

  An isocyanate composition according to the present invention contains an isocyanate compound of formula (1) and/or (2) (wherein R 1 represents a hydrogen or a monovalent organic group, and R 2 represents a monovalent organic group), and, relative to the total mass of the isocyanate compound in the composition, 1.0 ppm by mass to 10% by mass of a compound of formula (3): R 13 —(COO—R 14 )a (wherein R 13 represents an organic group with a valence of a, R 14 represents a monovalent organic group, and a represents an integer of 1 or 2), which is different from the isocyanate compound, and/or, 1.0 ppm by mass to 10% by mass of a compound having an UV absorption in an area of decamer or higher isocyanates in a measurement spectrum of gel permeation chromatography.