3-丁基-1,5-二甲基-2-氧杂双环[2.2.2]辛烷 | 72230-90-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 中文名称: 3-丁基-1,5-二甲基-2-氧杂双环[2.2.2]辛烷
• 英文名称: 2-Oxabicyclo[2.2.2]octane, 3-butyl-1,5-dimethyl-
• 英文别名: 3-butyl-1,5-dimethyl-2-oxabicyclo[2.2.2]octane
• CAS: 72230-90-1
• 化学式: C₁₃H₂₄O
• 分子量: 196.33
• InChiKey: SENDFKGNJBUEOA-UHFFFAOYSA-N

物化性质

• LogP：
  4.479 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  alpha-n-Butyl-4,6-dimethyl-3-cyclohexane methanol 、 硫酸 、 异丙醇 在 水 作用下， 以 水 、 甲苯 为溶剂， 反应 14.0h， 以affords 351 grams of 3-n-butyl-1,5-dimethyl-2-oxabicyclo[2.2.2]octane (b.p. 90° C., 3 mm Hg pressure)的产率得到3-丁基-1,5-二甲基-2-氧杂双环[2.2.2]辛烷
  参考文献：
  名称：

  Use of cyclohexenemethanols in augmenting or enhancing the aroma or

  摘要：

  介绍了四种环己烯甲醇：（i）α-烯丙基-4-甲基-3-环己烯甲醇，（ii）2,4-二甲基-α-烯丙基-3-环己烯甲醇，（iii）2,4-二甲基-α-异丙基-3-环己烯-1-甲醇，（iv）4,6-二甲基-α-烯丙基-3-环己烯甲醇，可增强或提高食品的香气或味道，或增强牙膏和嚼烟的口感。

  公开号：

  US04265923A1

文献信息

• Use of 2-oxabicyclooctane derivatives, for augmenting or enhancing the
  申请人：International Flavors & Fragrances Inc.

  公开号：US04195099A1

  公开（公告）日：1980-03-25

  Described are derivatives of 2-oxabicyclo[2.2.2]octanes and precursors therefor, cyclohexemethanols as well as lower alkyl esters of said cyclohexenemethanols. The oxabicyclooctanes are useful in perfumery and foodstuff, medicinal product and tobacco flavors. The cyclohexenemethanols are useful as precursors for the oxabicyclooctanes and are, themselves, useful for their organoleptic properties in perfumery and flavors as are the esters of said cyclohexenemethanols.

  本文描述了2-氧杂双环[2.2.2]辛烷及其前体衍生物、环己基甲醇以及所述环己基甲醇的低烷基酯。氧杂双环辛烷在香料和食品、医药产品和烟草香料中有用。环己基甲醇可用作氧杂双环辛烷的前体，本身在香料和香味中具有感官特性，所述环己基甲醇的酯类也具有相同的作用。
• 2-Oxabicyclooctane derivatives in perfume compositions
  申请人：International Flavors & Fragrances Inc.

  公开号：US04207214A1

  公开（公告）日：1980-06-10

  Described are derivatives of 2-oxabicyclo[2.2.2]octanes and precursors therefor. The oxabicyclooctanes are useful in perfumery.

  本文介绍了2-氧杂双环[2.2.2]辛烷及其前体的衍生物。这些氧杂双环辛烷在香料制造方面非常有用。
• 2-Oxabicyclooctane derivatives
  申请人：International Flavors & Fragrances Inc.

  公开号：US04231940A1

  公开（公告）日：1980-11-04

  Described are derivatives of 2-oxabicyclo[2.2.2]octanes and precursors therefor, cyclohexenemethanols as well as lower alkyl esters of said cyclohexenemethanols. The oxabicyclooctanes are useful in perfumery and foodstuff, medicinal product and tobacco flavors. The cyclohexenemethanols are useful as precursors for the oxabicyclooctanes and are, themselves, useful for their organoleptic properties in perfumery and flavors as are the esters of said cyclohexenemethanols.

  本文描述了2-氧杂双环[2.2.2]辛烷及其前体衍生物，环己烯甲醇以及所述环己烯甲醇的较低烷基酯。氧杂双环辛烷在香料、食品、医药产品和烟草香味方面有用。环己烯甲醇可用作氧杂双环辛烷的前体，本身在香料和香味中的感官特性也很有用，所述环己烯甲醇的酯类也同样有用。
• Use of cyclic chemical compounds augmenting or enhancing the aroma
  申请人：International Flavors & Fragrances Inc.

  公开号：US04238344A1

  公开（公告）日：1980-12-09

  Described is a process for augmenting or enhancing the aroma of a detergent comprising the step of intimately admixing with a solid or liquid detergent base from 0.01% up to 0.5% by weight of at least one cyclic chemical compound having a structure: ##STR1## wherein R.sub.1 is selected from the group consisting of hydrogen and methyl; R.sub.2 is C.sub.3 -C.sub.4 alkyl or alkenyl; and R.sub.5 is hydrogen or C.sub.1 -C.sub.4 acyl and wherein one of the dashed lines is a carbon-carbon single bond and the other of the dashed lines is a carbon-carbon double bond.

  描述了一种增强洗涤剂香气的过程，包括将至少一种具有以下结构的环状化学化合物与固体或液体洗涤剂基料密切混合，其重量占洗涤剂基料的0.01％至0.5％：##STR1## 其中R.sub.1选自氢和甲基组成的群体；R.sub.2为C.sub.3-C.sub.4烷基或烯基；R.sub.5为氢或C.sub.1-C.sub.4酰基，其中虚线之一是碳-碳单键，另一虚线是碳-碳双键。
• 2-Oxabicyclooctane derivatives, processes for preparing same and
  申请人：International Flavors & Fragrances Inc.

  公开号：US04263208A1

  公开（公告）日：1981-04-21

  Described are derivatives of 2-oxabicyclo[2.2.2]octanes and precursors therefor, cyclohexenemethanols as well as lower alkyl esters of said cyclohexenemethanols. The oxabicyclooctanes are useful in perfumery and foodstuff, medicinal product and tobacco flavors. The cyclohexenemethanols are useful as precursors for the oxabicyclooctanes and are, themselves, useful for their organoleptic properties in perfumery and flavors as are the esters of said cyclohexenemethanols.

  本文描述了2-氧杂双环[2.2.2]辛烷及其前体衍生物，环己烯甲醇以及所述环己烯甲醇的低烷基酯。氧杂双环辛烷在香料和食品、医药产品和烟草香料中有用。环己烯甲醇可用作氧杂双环辛烷的前体，本身在香料和风味中的感官特性也很有用，所述环己烯甲醇的酯类也同样有用。