3-(4-isopropylcyclohexen-1-yl)propanal | 1378867-81-2

• 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-isopropylcyclohexen-1-yl)propanal
• 英文别名: 3-[(4R)-4-(propan-2-yl)cyclohex-1-en-1-yl]propanal；3-[(4R)-4-propan-2-ylcyclohexen-1-yl]propanal
• CAS: 1378867-81-2
• 化学式: C₁₂H₂₀O
• 分子量: 180.29
• InChiKey: VZZSYXAVGYODQG-LBPRGKRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.35
• 重原子数：
  13.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  (4R)-2-(1-butoxyethoxy)-4-isopropyl-1-methylene cyclohexane 、 己酸 反应 2.0h， 以14.7 g of 3-[(4R)-4-isopropylcyclohexen-1-yl]-propanal (formula (Ia) as defined above) is isolated at a purity of 52% and with 96.6% ee的产率得到3-(4-isopropylcyclohexen-1-yl)propanal
  参考文献：
  名称：

  FRAGRANCES WITH NOTE OF LILY OF THE VALLEY

  摘要：

  描述了化合物式(I)，以及其作为香料的用途，特别是作为铃兰香气和/或增加香料制剂的持久性和/或保持力的剂。

  公开号：

  US20130090390A1

文献信息

• [EN] CYCLOHEXENE DERIVATIVES AS PERFUMING INGREDIENTS<br/>[FR] DÉRIVÉS DE CYCLOHEXÈNE UTILISÉS EN TANT QU'INGRÉDIENTS PARFUMANTS
  申请人：FIRMENICH & CIE

  公开号：WO2018167200A1

  公开（公告）日：2018-09-20

  The present invention concerns a compound of formula (I) in the form of any one of its stereoisomers or a mixture thereof, and wherein n is 0 or 1; R and R', independently from each other, represent a hydrogen atom or a C1-2 linear alkyl group provided that one of said groups represents a hydrogen atom and the other a C1-2 linear alkyl group; each R1, independently from each other, represents a hydrogen atom or a methyl group; and R2 and R3 represent, independently of each other, a C1-3 linear alkyl group; or R2 and R3, when taken together, represent a C4-5 linear, branched alkanediyl or alkenediyl. The use of compound of formula (I) as perfuming ingredients of floral type and the invention's compounds as part of a perfuming composition or of a perfuming consumer product are also part of the present invention.

  本发明涉及一种式（I）的化合物，其为其立体异构体之一或其混合物的形式，其中n为0或1；R和R'分别表示氢原子或C1-2直链烷基基团，前提是其中一个基团表示氢原子，另一个表示C1-2直链烷基基团；每个R1独立地表示氢原子或甲基基团；R2和R3独立地表示C1-3直链烷基基团；或者R2和R3在一起时表示C4-5直链、支链烷二基或烯二基。本发明还涉及将式（I）的化合物用作花香型香料成分，以及将本发明的化合物作为香料组合物或香料消费者产品的一部分。
• Lily of the valley odorant
  申请人：FIRMENICH SA

  公开号：US10472591B2

  公开（公告）日：2019-11-12

  The present invention concerns a compound of formula (I) in the form of any one of its stereoisomers or as a mixture thereof, and wherein carbon 4 of the cyclohexenyl group has an absolute S configuration and R represents a hydrogen atom or a methyl group and their use in perfumery to impart odor notes of white peach and floral type.

  本发明涉及一种式（I）化合物，其形式为任意一种立体异构体或其混合物，其中环己烯基的碳 4 具有绝对 S 构型，R 代表氢原子或甲基，本发明还涉及其在香水中的用途，以赋予白桃和花香类型的气味。
• Cyclohexene derivatives as perfuming ingredients
  申请人：Firmenich SA

  公开号：US10934240B2

  公开（公告）日：2021-03-02

  The present invention concerns a compound of formula (I) in the form of any one of its stereoisomers or a mixture thereof, and wherein n is 0 or 1; R and R′, independently from each other, represent a hydrogen atom or a C1-2 linear alkyl group provided that one of said groups represents a hydrogen atom and the other a C1-2 linear alkyl group; each R1, independently from each other, represents a hydrogen atom or a methyl group; and R2 and R3 represent, independently of each other, a C1-3 linear alkyl group; or R2 and R3, when taken together, represent a C4-5 linear, branched alkanediyl or alkenediyl. The use of compound of formula (I) as perfuming ingredients of floral type and the invention's compounds as part of a perfuming composition or of a perfuming consumer product are also part of the present invention.

  本发明涉及式(I)化合物，其形式为其任意一种立体异构体或其混合物，其中n为0或1；R和R′彼此独立地代表氢原子或C1-2直链烷基，条件是所述基团之一代表氢原子，另一个代表C1-2直链烷基；每个 R1 相互独立地代表氢原子或甲基；R2 和 R3 相互独立地代表 C1-3 直链烷基；或 R2 和 R3 合在一起代表 C4-5 直链、支链烷二基或烯二基。将式（I）化合物用作花香型香水成分以及将本发明化合物用作香水组合物或香水消费品的一部分也是本发明的一部分。
• POLYAMIDE COMPOSITIONS WITH IMPROVED OPTICAL PROPERTIES
  申请人：BASF SE

  公开号：EP2828329B1

  公开（公告）日：2015-12-30
• Riechstoffe mit Maiglöckchennote
  申请人：Symrise AG

  公开号：EP2578671B1

  公开（公告）日：2015-12-30