1-tert.-Butyloxycyclohexen | 31053-82-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-tert.-Butyloxycyclohexen
• 英文别名: 1-t-Butoxy-cyclohexen；Ether, tert-butyl 1-cyclohexen-1-yl；1-[(2-methylpropan-2-yl)oxy]cyclohexene
• CAS: 31053-82-4
• 化学式: C₁₀H₁₈O
• 分子量: 154.252
• InChiKey: LYKXVMWCTKYYIF-UHFFFAOYSA-N

物化性质

• 沸点：
  62-63 °C(Press: 12 Torr)
• 密度：
  0.88±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 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：

  1-氯环己烯 以 四氢呋喃 为溶剂， 生成 1-tert.-Butyloxycyclohexen
  参考文献：
  名称：

  1-卤代环己烯和甲基取代的1-卤代环己烯与叔丁醇钾的反应

  摘要：

  1-卤代环己烯和1-卤代-4-甲基环己烯与叔丁醇钾（t-BuOK）在二甲亚砜和四氢呋喃中的反应已通过三种竞争的脱卤化氢机理发生。它们是：工作在C脱卤化氢1 C 6键，得到cyclohexyne; 工作在C脱卤化氢1 C 6键合得到1，2-环己二烯：和质子重排成相应的3-卤代环己烯，然后β-消除成1，3-环己二烯。高度应变的环己炔和1,2-环己二烯中间体与t-BuOK反应生成1-叔丁氧基环己烯，在DMSO中的产率为5–20％，在THF中的产率为60％。与取代反应竞争的是1,2-环己二烯二聚为三环[6.4.0.0 2,7 ] -dodeca - 2,12 -diene，以及1,2-和1的1,2-和1,4-环加成，3-环己二烯。

  DOI：

  10.1016/0040-4020(72)88141-9

文献信息

• Short-chain enol esters as odiferous substance precursors
  申请人：Eh Marcus

  公开号：US20070053860A1

  公开（公告）日：2007-03-08

  The use of a compound of the formula I in which R 1 is the radical (a) of the enol form of an aldehyde having 6 or more C atoms or (b) of a ketone having 10 or more C atoms and R 2 is an (a) branched or unbranched C 1 to C 4 alkyl group or (b) branched or unbranched C 2 to C 4 alkylene group, as a fragrance precursor.

  使用具有以下化学式的化合物作为香精前体：其中R1是具有6个或更多碳原子的醛的烯醇形式的基团(a)，或者是具有10个或更多碳原子的酮的基团(b)，而R2是(a)支链或直链的C1至C4烷基基团，或者是(b)支链或直链的C2至C4烷基烯基基团。
• Functional fragrance precursor
  申请人：——

  公开号：US20040102357A1

  公开（公告）日：2004-05-27

  The present invention relates to a class of fragrance precursor compounds comprising one or more of the compounds derived from the reaction of X—OH and an aldehyde or ketone, said fragrance precursor compounds being of the formula X—O—C(R) (R*) (OR**) wherein R is a C 6-24 alkyl group, a C 6-24 aralkyl group or a C 6-24 alkaryl group; R* is H or a C 6-24 alkyl group, a C 6-24 aralkyl group or a C 6-24 alkaryl group; R** is H or X; X—O representing a moiety derived from X—OH, and wherein X—OH is a compound selected from the group consisting of surfactants, fabric softeners, softener precursor ester amines, softener precursor amido amines, hair conditioners, skin conditions, saccharides and polymers. In a second aspect it relates to a method of preparing such precusors. Further the invention relates to compositions, comprising the precursor of the invention.

  本发明涉及一类香精前体化合物，包括由X—OH和醛或酮反应而得的化合物中的一个或多个，所述香精前体化合物的化学式为X—O—C(R)(R*)(OR**)，其中R是C6-24烷基基团、C6-24芳基烷基基团或C6-24烷基芳基基团；R*是H或C6-24烷基基团、C6-24芳基烷基基团或C6-24烷基芳基基团；R**是H或X；X—O代表从X—OH得到的基团，其中X—OH是从表面活性剂、织物柔软剂、柔软剂前体酯胺、柔软剂前体酰胺、护发素、皮肤护理品、糖类和聚合物组成的一组化合物中选择的化合物。在第二方面，它涉及制备这种前体的方法。此外，该发明涉及包含该发明前体的组合物。
• FRAGRANCE COMPOSITION
  申请人：KAO CORPORATION

  公开号：US20160115423A1

  公开（公告）日：2016-04-28

  The present invention provides a method of using, as a fragrance component, a compound that is excellent in fragrance retention and that has green floral and fruity like odors, which are useful as fragrances, and a fragrance composition with sweetness and voluminousness containing the compound. The present invention relates to a fragrance composition containing 2-n-pentyl cyclopentanone oxime and a method of using 2-n-pentyl cyclopentanone oxime as a fragrance component.

  本发明提供了一种使用优异的香气保留性和具有绿色花卉和果香的化合物作为香气成分的方法，这些香气成分可用作香料，以及含有甜味和丰满感的香气组合物。本发明涉及一种含有2-正戊基环戊酮肟的香气组合物和使用2-正戊基环戊酮肟作为香气成分的方法。
• Fragrance pro-accords and aldehyde and ketone fragrance libraries
  申请人：——

  公开号：US20020155985A1

  公开（公告）日：2002-10-24

  The present invention relates to novel heterocyclic pro-fragrances, preferably oxazolidines, tertahydro-1,3-oxazines, thiazolidines, or tetrahydro-1,3-thiazines, more preferably oxazolidines, or tertahydro-1,3-oxazines, most preferably oxazolidines, which are capable of sustained release of fragrance raw material ketones and aldehydes and to fragrance delivery systems which comprise said pro-fragrances.

  本发明涉及新型杂环前香料，优选为噁唑烷、四氢-1,3-噁唑烷、噻唑烷或四氢-1,3-噻唑烷，更优选为噁唑烷或四氢-1,3-噁唑烷，最优选为噁唑烷，这些前香料能够持续释放香料原料酮和醛，并且涉及包含该前香料的香料传递系统。
• Hair Processing Agent And Method For Permanent Waving Hair
  申请人：Shibuya Akira

  公开号：US20080085251A1

  公开（公告）日：2008-04-10

  Provided are hair processing agents capable of permanent waving hair even at a neutral to weakly acidic pH range that causes less irritation to the skin, and hair processing agents in which an unpleasant odor is masked. Hair processing agents contain at least one compound represented by the formula (2). Hair processing agents contain a compound of the formula (2) and at least one compound (ii) selected from thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine, salts thereof and ester derivatives thereof. Hair processing agents contain a compound of the formula (2), a surfactant and water, and are emulsified. Hair processing agents contain a compound of the formula (2) and a specific perfume. wherein X is a structure selected from —O—, —S—, —NH— and —NR 1 —; R 1 is an alkyl group of 1 to 6 carbon atoms; Y is an oxygen atom or a sulfur atom; in the formula (1), Z is a divalent organic residue having at least one mercapto group; in the formula (2), R is a divalent organic residue optionally having a mercapto group; and R 2 is a hydrogen atom or an alkyl group of 1 to 6 carbon atoms.

  提供了能够在中性至微酸性pH范围内进行永久性卷发的头发处理剂，其对皮肤刺激较小，并且掩盖了不愉快的气味。头发处理剂包含至少一种由公式（2）表示的化合物。头发处理剂包含公式（2）的化合物和至少一种从巯基乙酸，巯基乳酸，半胱氨酸，乙酰半胱氨酸，半胱氨醇，酰基半胱氨醇，其盐和酯衍生物中选择的化合物（ii）。头发处理剂包含公式（2）的化合物，表面活性剂和水，并且是乳化的。头发处理剂包含公式（2）的化合物和特定香水。其中X是从-O-，-S-，-NH-和-NR1-选择的结构；R1是1到6个碳原子的烷基；Y是氧原子或硫原子；在公式（1）中，Z是具有至少一个巯基的二价有机残基；在公式（2）中，R是二价的有机残基，可选地具有巯基；R2是氢原子或1到6个碳原子的烷基。