4-(2-Phenyl-ethyl)-zimtsaeure | 93319-05-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 4-(2-Phenyl-ethyl)-zimtsaeure
• 英文别名: 3-<4-Phenethyl-phenyl>-acrylsaeure；3-[4-(2-Phenylethyl)phenyl]prop-2-enoic acid
• CAS: 93319-05-2
• 化学式: C₁₇H₁₆O₂
• 分子量: 252.313
• InChiKey: DJWZTGUZKXRZTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  丙二酸 、 4-(2-苯基乙基)苯甲醛 在 哌啶 、 吡啶 作用下， 生成 4-(2-Phenyl-ethyl)-zimtsaeure
  参考文献：
  名称：

  MASSARANI; NARDI; MAURI, Farmaco, Edizione Scientifica, 1963, vol. 18, p. 582 - 594

  摘要：

  DOI：

文献信息

• Salicylaldehyde-containing composition having antimicrobial and fragrancing properties and process for using same
  申请人：INTERNATIONAL FLAVORS & FRAGRANCES INC.

  公开号：EP1172118A2

  公开（公告）日：2002-01-16

  Described are synergistic antimicrobial-fragrance compositions including broad spectrum antimicrobial compositions containing salicylaldehyde and at least one organoleptically-compatible antimicrobial synergism cofactor substance. The weight ratio range of salicylaldehyde:synergism cofactors substance is from 1:10 up to 10:1. The cofactor substance is such that the degree of synergism of the resultant mixture is defined according to the IFF Antimicrobial Synergism Test wherein the difference between the actual and expected antimicrobial values of the mixture is greater than or equal to a multiple of (i) 0.05 and (ii) the expected antimicrobial value of the mixture. Cofactor substances include phenolics such as cresol, caravacrol and thymol; ethyl vanillin; benzyl alcohol; indol; β-orcinol; and terpinenol-4. Microorganisms against which the synergistic compositions are effective include:    Escherichia coli;    Enterococcus hirae;    Pseudomonas aeruginosa;    Staphylococcus aureus; and    Saccharomyces cerevisae. The compositions have application in all-purpose cleaning compositions, gel-type toilet rim articles, liquid-type toilet rim articles, personal shower cleaning compositions, and body and hair care products including shower gel compositions, shampoo compositions and foam bath compositions.

  所述的协同抗菌香料组合物包括广谱抗菌组合物，其中含有水杨醛和至少一种有机相容的抗菌增效辅助因子物质。水杨醛与增效辅助因子物质的重量比范围为 1:10 至 10:1。根据 IFF 抗菌增效试验，辅助因子物质的作用是使所得混合物的增效程度大于或等于 (i) 0.05 和 (ii) 混合物预期抗菌值的倍数，其中混合物的实际抗菌值与预期抗菌值之差大于或等于 0.05 和 (ii) 混合物预期抗菌值的倍数。辅助因子物质包括酚类物质，如甲酚、卡瓦克洛和百里酚；乙基香兰素；苯甲醇；吲哚；β-间苯二酚；和松油醇-4。增效组合物可有效对付的微生物包括 大肠杆菌 平肠球菌 铜绿假单胞菌 金黄色葡萄球菌；以及 酵母菌。 这些组合物适用于多功能清洁组合物、凝胶型马桶圈用品、液体型马桶圈用品、个人淋浴清洁组合物以及身体和头发护理产品，包括沐浴露组合物、洗发水组合物和泡沫浴组合物。
• TOPICAL COMPOSITIONS FOR REDUCING SKIN IRRITATION
  申请人：Givaudan SA

  公开号：EP1968531A2

  公开（公告）日：2008-09-17
• Organic compounds
  申请人：Natsch Andreas

  公开号：US20100063011A1

  公开（公告）日：2010-03-11

  The invention relates to organic compounds having the ability to reduce or suppress the onset of skin irritation induced by extraneous cause selected from the group of 2-heptylcyclopentanone, 2-ethoxynaphthalene; 2-methoxynaphthalene; 1-methoxy-4-(prop-1-enyl)benzene; 1-(cyclopropylmethyl)-4-methoxybenzene; wherein X, Y, and R 1 to R 11 have the same meaning as given in the description. Furthermore the invention refers to compositions for topical application to the skin comprising them. It further relates to a method of reducing or suppressing the formation of skin irritation.
• Organic Compounds
  申请人：NATSCH Andreas

  公开号：US20120184513A1

  公开（公告）日：2012-07-19

  The invention relates to organic compounds having the ability to reduce or suppress the onset of skin irritation induced by extraneous cause selected from the group of 2-heptylcyclopentanone, 2-ethoxynaphthalene; 2-methoxynaphthalene; 1-methoxy-4-(prop-1-enyl)benzene; 1-(cyclopropylmethyl)-4-methoxybenzene; wherein X, Y, and R 1 to R 11 have the same meaning as given in the description. Furthermore the invention refers to compositions for topical application to the skin comprising them. It further relates to a method of reducing or suppressing the formation of skin irritation.
• ORGANIC COMPOUNDS
  申请人：Givaudan SA

  公开号：US20160346181A1

  公开（公告）日：2016-12-01

  The invention relates to organic compounds having the ability to reduce or suppress the onset of skin irritation induced by extraneous cause selected from the group of 2-heptylcyclopentanone, 2-ethoxynaphthalene; 2-methoxynaphthalene; 1-methoxy-4-(prop-1-enyl)benzene; 1-(cyclopropylmethyl)-4-methoxybenzene; wherein X, Y, and R 1 to R 11 have the same meaning as given in the description. Furthermore the invention refers to compositions for topical application to the skin comprising them. It further relates to a method of reducing or suppressing the formation of skin irritation.