3-(4-isopropyl-cyclohexyl)-propionic acid | 62221-13-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 3-(4-isopropyl-cyclohexyl)-propionic acid
• 英文别名: 3-(4-Isopropyl-cyclohexyl)-propionsaeure；3-(4-isopropylcyclohexyl)propionic acid；3-[4-(Propan-2-yl)cyclohexyl]propanoic acid；3-(4-propan-2-ylcyclohexyl)propanoic acid
• CAS: 62221-13-0
• 化学式: C₁₂H₂₂O₂
• 分子量: 198.305
• InChiKey: FAPYBPAXEODKJP-UHFFFAOYSA-N

物化性质

• 沸点：
  298.8±8.0 °C(Predicted)
• 密度：
  0.956±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(4-isopropyl-cyclohexyl)-propionic acid 在 铁粉 氮气 、 乙醚 作用下， 反应 4.5h， 以to leave the product, 17.3 g的产率得到1,5-di-(4-isopropylcyclohexyl)-3-pentanone
  参考文献：
  名称：

  Alicyclic alkylene polyamine microorganism and algae growth inhibitors

  摘要：

  新型二环己基、二环己烯基和环己烯基烷基多胺是有用的抗微生物剂，也是藻类抑制剂。它们在农业上特别有用，可以保护植物免受叶、茎和果实斑点、内部变色和腐烂等疾病的侵害。这些化合物特别对假单胞菌属、黄单胞菌属、厄尔文氏菌属和科林氏菌属引起的疾病具有活性。

  公开号：

  US04049417A1
• 作为产物：
  描述：

  beta-pinene 在 过氧化乙酰 、 溶剂黄146 、 铂 作用下， 生成 3-(4-isopropyl-cyclohexyl)-propionic acid
  参考文献：
  名称：

  Dupont et al., Bulletin de la Societe Chimique de France, 1951, p. 257

  摘要：

  DOI：

文献信息

• Alicyclic alkylene polyamine microorganism and algae growth inhibitors
  申请人：Merck & Co., Inc.

  公开号：US04049417A1

  公开（公告）日：1977-09-20

  Novel dicyclohexyl, dicyclohexenyl and cyclohexylcyclohexenylalkyl polyamines are useful antimicrobial agents, as well as algae inhibitors. They are especially useful in agriculture to protect plants against diseases such as leaf, stem, and fruit spotting, internal discoloration and decay of fruits and vegetables. These compounds are particularly active against diseases caused by the genera Pseudomonas, Xanthomonas, Erwinia, and Corynebacterium.

  新型二环己基、二环己烯基和环己烯基烷基多胺是有用的抗微生物剂，也是藻类抑制剂。它们在农业上特别有用，可以保护植物免受叶、茎和果实斑点、内部变色和腐烂等疾病的侵害。这些化合物特别对假单胞菌属、黄单胞菌属、厄尔文氏菌属和科林氏菌属引起的疾病具有活性。
• Malodor counteractant compositions and methods for preparing and using same
  申请人：Bush Boake Allen Inc.

  公开号：EP1167507A2

  公开（公告）日：2002-01-02

  This invention pertains to a method of counteracting a malodor in a solid or liquid, soap or detergent caused by a compound selected from the group consisting of lower carboxylic acids, thiols, thiophenols, phenols, lower amines, phosphines, arsines, lower alcohols, and lower ketones. The method comprises introducing into the solid or liquid, soap or detergent an effective malodor counteracting amount of a malodor counteracting compound selected from the group consisting of 1-cyclohexyl-ethyl-butyrate, 1-cyclohexyl-ethyl-acetate, 1-cyclohexyl-ethanol, 4-isopropyl-cyclohexyl-propionate, and phenoxyacetic acid 2-hydroxy-ethyl ester. The perceived total odor intensity in the solid or liquid, soap or detergent is reduced and the perceived malodor intensity in the solid or liquid, soap or detergent is substantially eliminated. The malodor counteractant compositions may be used in a wide variety of solid or liquid, soaps or detergents.

  本发明涉及一种抵消固体或液体、肥皂或洗涤剂中由选自低级羧酸、硫醇、噻吩酚、酚、低级胺、膦、砷化氢、低级醇和低级酮组成的组的化合物引起的恶臭的方法。该方法包括在固体或液体、肥皂或洗涤剂中引入有效量的恶臭抑制化合物，该化合物选自 1-环己基-乙基-丁酸酯、1-环己基-乙基-乙酸酯、1-环己基-乙醇、4-异丙基-环己基-丙酸酯和苯氧乙酸 2-羟基-乙酯组成的组。固体或液体、肥皂或洗涤剂中的总气味强度会降低，固体或液体、肥皂或洗涤剂中的恶臭强度也会基本消除。恶臭抑制剂组合物可用于各种固体或液体、肥皂或洗涤剂中。
• Cyclohexylethan-1-yl ester mixtures as malodour counteractants and methods for using same
  申请人：INTERNATIONAL FLAVORS & FRAGRANCES INC.

  公开号：EP1447102A1

  公开（公告）日：2004-08-18

  Described is an ester mixture consisting essentially of 1-cyclohexylethan-1-yl butyrate and 1-cyclohexylethan-1-yl acetate wherein the weight ratio of 1-cyclohexylethan-1-yl butyrate: 1-cyclohexylethan-1-yl acetate is from about 20:80 up to about 80:20. The mixture is synergistically effective for its ability to counteract a malodour (1) emanating from a malodourous solid or liquid source into a 3-space proximate the solid or liquid source or (2) present in a malodourous air 3-space.

  所述的酯混合物主要由丁酸 1-环己基乙烷-1-基酯和乙酸 1-环己基乙烷-1-基酯组成，其中丁酸 1-环己基乙烷-1-基酯的重量比为约 20:80，乙酸 1-环己基乙烷-1-基酯的重量比为约 80:20：1-环己基乙烷-1-基乙酸酯的重量比从约 20:80 到约 80:20。该混合物具有协同增效作用，可有效抵消以下恶臭：(1) 从恶臭固体或液体源散发到靠近固体或液体源的三维空间中的恶臭，或 (2) 存在于恶臭空气三维空间中的恶臭。
• 3-(cyclohex-1-en-1-yl)propionates and their use in perfume compositions
  申请人：INTERNATIONAL FLAVORS & FRAGRANCES INC.

  公开号：EP2862599B1

  公开（公告）日：2016-08-31
• Synergistically-effective cyclohexylethan-1-yl ester mixtures as malodour counteractants as measured physiologically and psychometrically and methods for using same
  申请人：——

  公开号：US20040156742A1

  公开（公告）日：2004-08-12

  Described is an ester mixture of 1-cyclohexylethan-1-yl butyrate and 1-cyclohexylethan-1-yl acetate wherein the weight ratio of 1-cyclohexylethan-1-yl butyrate:1-cyclohexylethan-1-yl acetate is from about 20:80 up to about 80:20. The mixture is synergistically effective for its ability to counteract a malodour (1) emanating from a malodourous solid or liquid source into a 3-space proximate the solid or liquid source or (2) present in a malodourous air 3-space.