3-chloro-4-hydroxy-benzoic acid octyl ester | 40664-24-2

• 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: 3-chloro-4-hydroxy-benzoic acid octyl ester
• 英文别名: 3-Chlor-4-hydroxy-benzoesaeure-octylester；Octyl 3-chloro-4-hydroxybenzoate
• CAS: 40664-24-2
• 化学式: C₁₅H₂₁ClO₃
• 分子量: 284.783
• InChiKey: LSRAKNSQYCAYKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  19
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Composition
  申请人：Unilever Home & Personal Care USA, Division of Conopco, Inc.

  公开号：US20040141928A1

  公开（公告）日：2004-07-22

  An oral care composition comprising a compound of Formula (1) 1 wherein R is either OH or Cl and R′ is either H or OH, wherein X is either a substituted or unsubstituted, straight chain or branched alkyl group having from 2 to 16 carbon atoms.

  一种口腔护理组合物，包含式（1）化合物 1 其中 R 是 OH 或 Cl，R′是 H 或 OH，X 是具有 2 至 16 个碳原子的取代或未取代的直链或支链烷基。
• [EN] COMPOSITION<br/>[FR] COMPOSITION
  申请人：UNILEVER NV

  公开号：WO2004071376A2

  公开（公告）日：2004-08-26

  An oral care composition comprising a compound of Formula (I) wherein R is either OH or Cl and R' is either H or OH, wherein X is either a substituted or unsubstituted, straight chain or branched alkyl group having from 2 to 16 carbon atoms or of formula (II) wherein: R is a group independently selected from the group consisting of: H, F, C1, Br, -OH, C1-5 alkyl, -C(O)H, C(O)C1-5 alkyl, -OCH3, -C2H5, -NH2, -NHC(O)CH3 and C(O)OC1-6 alkyl and z is from 1 to 5; R' is selected from the group consisting of: H, -OH, F, C1, Br, I, and C1-C6 alkyl and n is an integer of from 0 to 12; wherein X is -C(O)-R' and R' is-C1-16 alkyl or CH2C6H6.