3,5,5-trimethylhexyl p-toluenesulfonate | 160880-16-0

• 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: 3,5,5-trimethylhexyl p-toluenesulfonate
• 英文别名: 3,5,5-trimethylhexyl 4-methylbenzenesulfonate
• CAS: 160880-16-0
• 化学式: C₁₆H₂₆O₃S
• 分子量: 298.447
• InChiKey: LSURVXBSLVFQSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,5,5-trimethylhexyl p-toluenesulfonate 以52%的产率得到methyl 2-hydroxy-4-(3,5,5-trimethylhexyloxy)benzoate
  参考文献：
  名称：

  Preparation for external application to the skin and novel benzoic acid

  摘要：

  本发明涉及一种外用制剂，其特征在于含有至少一种由式（I）表示的苯甲酸衍生物或其药学上可接受的盐作为活性成分，该制剂具有足够的皮脂分泌抑制活性，无实质性副作用且对人体安全性高。其中，R1代表-OH，-OR3或-NHR3；R2代表氢原子，低碳基或低酰基；R代表-O-R4或-；R3代表烷基，烯基或羟基烷基；R4代表直链或支链，饱和或单不饱和烷基或环烷基烷基，其碳原子数为4到10；X代表-O-或-NH-；n代表1或2。

  公开号：

  US05646184A1

文献信息

• DERMATOLOGIC PREPARATION AND NOVEL BENZOIC ACID DERIVATIVE
  申请人：Kao Corporation

  公开号：EP0643035A1

  公开（公告）日：1995-03-15

  A dermatologic preparation containing at least one of the benzoic acid derivatives represented by general formula (I) and pharmacologically acceptable salts thereof, having a sufficient effect of inhibiting sebum secretion and being free from side effects, thus being safe for the human body, wherein R¹ represents -OH, -OR³ or -NHR³; R² represents hydrogen, lower alkyl or lower alkoxy; R represents -OR⁴ or (II); R³ represents alkyl, alkenyl or hydroxyalkyl; R⁴ represents C₄-C₁₀ linear or branched, saturated or monounsaturated alkyl or cycloalkylalkyl; X represents -O- or -NH-; and n represents 1 or 2.

  一种含有至少一种通式(I)所代表的苯甲酸衍生物及其药理上可接受的盐的皮肤病制剂，具有足够的抑制皮脂分泌的作用，且无副作用，因此对人体安全，其中R¹代表-OH、-OR³或-NHR³；R² 代表氢、低级烷基或低级烷氧基；R 代表 -OR⁴ 或 (II)；R³ 代表烷基、烯基或羟基烷基；R⁴ 代表 C₄-C₁₀ 直链或支链、饱和或单不饱和烷基或环烷基烷基；X 代表 -O- 或 -NH-；以及 n 代表 1 或 2。
• SULFONATE ESTERS TO IMPROVE FLUOROPOLYMER SEAL COMPATIBILITY OF LUBRICANT COMPOSITIONS
  申请人：BASF SE

  公开号：EP3164473A1

  公开（公告）日：2017-05-10
• Sulfonate Esters To Improve Fluoropolymer Seal Compatibility Of Lubricant Compositions
  申请人：BASF SE

  公开号：US20160002560A1

  公开（公告）日：2016-01-07

  This disclosure is directed to a lubricant composition having improved compatibility with fluoropolymer seals. The lubricant composition includes a base oil and a sulfonate ester. The disclosure is also directed to an additive package for a lubricant composition that provides improved compatibility with fluoropolymer seals. The additive package includes the sulfonate ester. The disclosure is also directed to a method of improving compatibility of a lubricant composition with a fluoropolymer seal disposed in an internal combustion engine. The sulfonate ester improves the compatibility with fluoropolymer seals of the resultant lubricant composition.
• US5646184A
  申请人：——

  公开号：US5646184A

  公开（公告）日：1997-07-08
• US9562208B2
  申请人：——

  公开号：US9562208B2

  公开（公告）日：2017-02-07