sec-butyl α-hydroxyisobutyrate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: sec-butyl α-hydroxyisobutyrate
• 英文别名: Butan-2-yl 2-hydroxy-2-methylpropanoate；butan-2-yl 2-hydroxy-2-methylpropanoate
• 化学式: C₈H₁₆O₃
• 分子量: 160.213
• InChiKey: AVEFMPNOIIDLHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  仲丁醇 、 2-羟基异丁酸甲酯 在 sodium methylate 作用下， 以 正己烷 为溶剂， 以160 g的产率得到sec-butyl α-hydroxyisobutyrate
  参考文献：
  名称：

  ISOBUTYRIC ACID ESTER COMPOUND HAVING ALKENOYLOXY GROUP AT ALPHA-POSITION, PERFUME COMPOSITION, AND USE AS PERFUME

  摘要：

  A fragrance composition contains a compound represented by Formula (1) below as an active ingredient: where, in Formula (1), R 1 is a linear or branched olefinically unsaturated hydrocarbon group having from 2 to 4 carbons, and R 2 is a linear, branched, or cyclic alkyl group having from 1 to 6 carbons.

  公开号：

  US20240199528A1

文献信息

• ISOBUTYRIC ESTER COMPOUND HAVING BUTYRYLOXY GROUP OR PIVALOYLOXY GROUP AT ? POSITION, AND PERFUME COMPOSITION
  申请人：MITSUBISHI GAS CHEMICAL COMPANY, INC.

  公开号：EP3816149A1

  公开（公告）日：2021-05-05

  A compound, represented by Formula (1): where X represents an isopropyl group or a t-butyl group, and R represents a linear, branched, or cyclic alkyl group having 1 to 5 carbon atoms; provided that one where X is an isopropyl group, and R is a t-butyl group is excluded.

  由式（1）表示的化合物：其中 X 代表异丙基或叔丁基，R 代表具有 1 至 5 个碳原子的直链、支链或环状烷基；但不包括其中 X 为异丙基、R 为叔丁基的化合物。
• ISOBUTYRIC ESTER COMPOUND HAVING AN ISOBUTYRYLOXY GROUP OR PIVALOYLOXY GROUP AT ALPHA POSITION, AND PERFUME COMPOSITION
  申请人：MITSUBISHI GAS CHEMICAL COMPANY, INC.

  公开号：EP3816149B1

  公开（公告）日：2022-04-27
• ISOBUTYRATE ESTER COMPOUND HAVING CARBONATE GROUP AT ALPHA-POSITION, AND FRAGRANCE COMPOSITION
  申请人：MITSUBISHI GAS CHEMICAL COMPANY, INC.

  公开号：US20220402857A1

  公开（公告）日：2022-12-22

  A fragrance composition containing a compound represented by Formula (1) as an active ingredient: where in Formula (1), R 1 represents a linear, branched, or cyclic alkyl group having from 1 to 4 carbon(s); and R 2 represents a linear, branched, or cyclic alkyl group having from 1 to 6 carbon(s).