5-aHexen-a2-aone, 1-abicyclo[2.2.1]ahept-a2-ayl- | 1352216-91-1

• 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: 5-aHexen-a2-aone, 1-abicyclo[2.2.1]ahept-a2-ayl-
• 英文别名: 1-(2-bicyclo[2.2.1]heptanyl)hex-5-en-2-one
• CAS: 1352216-91-1
• 化学式: C₁₃H₂₀O
• 分子量: 192.3
• InChiKey: YBJPIMFFVACSFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

文献信息

• BICYCLO-KETONES AS PERFUMING INGREDIENTS
  申请人：Birkbeck Anthony A.

  公开号：US20130045906A1

  公开（公告）日：2013-02-21

  A compound and a method to confer, enhance, improve or modify the odor properties of a perfuming composition or of a perfumed article, to confer a green allylic, glycolate and fruity-pineapple odor, by adding the compound thereto. The compound has formula (I): wherein the dotted line represents a carbon-carbon single bond or a carbon-carbon double bond; one R 1 represents a hydrogen atom and the other represents a hydrogen atom or a methyl or ethyl group; X representing a C═CH 2 or C═CHCH 3 group or a CHR 2 group, each R 2 representing a hydrogen atom or a methyl or ethyl group; and R 3 represents a a group of formula CR 4 ═C(R 4 ) 2 , or a group of formula each R 4 representing a hydrogen atom or a methyl or ethyl group. The compound is in the form of a pure enantiomer or a mixture thereof.

  一种化合物和一种方法，用于赋予、增强、改善或修改香水组合物或香水制品的气味特性，以赋予绿色烯丙基、乙二醇酸盐和水果菠萝的气味，通过向化合物中添加该化合物。该化合物的化学式为（I）：其中虚线表示碳-碳单键或碳-碳双键；一个R1代表氢原子，另一个代表氢原子或甲基或乙基基团；X代表C═CH2或C═CHCH3基团或CHR2基团，每个R2代表氢原子或甲基或乙基基团；R3代表CR4═C(R4)2基团或基团，其中每个R4代表氢原子或甲基或乙基基团。该化合物为纯对映体或其混合物形式。
• US8445727B2
  申请人：——

  公开号：US8445727B2

  公开（公告）日：2013-05-21
• [EN] BICYCLO-KETONES AS PERFUMING INGREDIENTS<br/>[FR] BICYCLO-CÉTONES COMME INGRÉDIENTS PARFUMANTS
  申请人：FIRMENICH & CIE

  公开号：WO2011154859A1

  公开（公告）日：2011-12-15

  The present invention relates to the use as perfuming ingredient, to confer a green allylic, glycolate and fruity-pineapple odor, of a C13-C16 compound of formula 5 wherein the dotted line represents a carbon-carbon single bond or a carbon-carbon single or double bond; one R1 is a hydrogen atom and the other R1 represents a hydrogen atom or a methyl or ethyl group; X represents a C=CH2 or C=CHCH3 group or a CHR2 group, 10 each R2, independently from each other, represents a hydrogen atom or a methyl or ethyl group; andR3 represents a - a group of formula CR4=C(R4)2, each R4 representing, independently from each other, a hydrogen atom or a methyl or ethyl group; or - a group of formula 15 R4 having the same meaning as above.