3-(5-isopropyl-2-methyl-phenyl)-2-methyl-propionaldehyde | 6839-85-6

• 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-(5-isopropyl-2-methyl-phenyl)-2-methyl-propionaldehyde
• 英文别名: 3-(5-Isopropyl-2-methyl-phenyl)-2-methyl-propionaldehyd；2-Methyl-3-<2-methyl-5-isopropyl-phenyl>-propionaldehyd；2-Methyl-3-[2-methyl-5-(propan-2-yl)phenyl]propanal；2-methyl-3-(2-methyl-5-propan-2-ylphenyl)propanal
• CAS: 6839-85-6
• 化学式: C₁₄H₂₀O
• 分子量: 204.312
• InChiKey: XYWUONSWEQQNKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-Acetoxy-2-methyl-3-[2-methyl-5-isopropyl-phenyl]-propen-(1) 在 potassium carbonate 作用下， 以 甲醇 为溶剂， 生成 3-(5-isopropyl-2-methyl-phenyl)-2-methyl-propionaldehyde
  参考文献：
  名称：

  Gerasimovich,T.B.; Kologrivova,N.E., Journal of Organic Chemistry USSR (English Translation), 1966, vol. 2, p. 671 - 673

  摘要：

  DOI：

文献信息

• [EN] IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS<br/>[FR] PERFECTIONNEMENTS APPORTÉS AUX COMPOSÉS ORGANIQUES OU EN RELATION AVEC CEUX-CI
  申请人：GIVAUDAN SA

  公开号：WO2014180952A1

  公开（公告）日：2014-11-13

  An aryl-substituted alkanal compound having a molecular weight of less than 300 g/mol and which bears a substituent on the aryl ring ortho to a substituent bearing the aldehyde functionality. Said compounds are useful as perfume ingredients in personal care and household care products.

  具有小于300克/摩尔分子量的芳基取代的烷醛化合物，在芳基环上带有一个取代基，与带有醛功能团的取代基相对位。这些化合物可用作个人护理和家庭护理产品中的香料成分。
• ORGANIC COMPOUNDS
  申请人：GIVAUDAN SA

  公开号：US20160075627A1

  公开（公告）日：2016-03-17

  An aryl-substituted alkanal compound having a molecular weight of less than 300 g/mol and which bears a substituent on the aryl ring ortho to a substituent bearing the aldehyde functionality. Said compounds are useful as perfume ingredients in personal care and household care products.

  一种分子量小于300克/摩尔，且其芳基环上带有一个取代基，该取代基位于醛官能团所带取代基的邻位的芳基取代烷醛化合物。该化合物在个人护理和家庭护理产品中作为香料成分有用。
• Organic compounds
  申请人：Givaudan, S.A.

  公开号：US10457891B2

  公开（公告）日：2019-10-29

  An aryl-substituted alkanal compound having a molecular weight of less than 300 g/mol and which bears a substituent on the aryl ring ortho to a substituent bearing the aldehyde functionality. Said compounds are useful as perfume ingredients in personal care and household care products.

  一种芳基取代的烷醛化合物，分子量小于 300 克/摩尔，其芳基环上的取代基正交于具有醛官能团的取代基。上述化合物可用作个人护理和家居护理产品中的香水成分。
• Shinya, Nippon Nogeikagaku Kaishi, 1955, vol. 29, p. 91,92
  作者：Shinya

  DOI：——

  日期：——
• IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS
  申请人：Givaudan SA

  公开号：EP2994448B1

  公开（公告）日：2019-07-31