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顺式-3-己烯基异戊酸酯 | 35154-45-1

中文名称
顺式-3-己烯基异戊酸酯
中文别名
Z-3-甲基丁酸-3-己烯酯;异戊酸顺-3-己烯酯;3-甲基-丁酸-(Z)-3-己烯酯,Z-3-甲基丁酸-3-己烯酯;异戊酸叶醇酯;(Z)-3-己烯醇异戊酸酯;(Z)-2-甲基丁酸-3-己烯酯
英文名称
cis-3-Hexenyl isovalerate
英文别名
[(Z)-hex-3-enyl] 3-methylbutanoate
顺式-3-己烯基异戊酸酯化学式
CAS
35154-45-1
化学式
C11H20O2
mdl
——
分子量
184.27
InChiKey
AIQLNKITFBJPFO-WAYWQWQTSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 稳定性/保质期:
    常规情况下不会分解,没有危险反应。这是一种无色透明的液体,具有强烈的甜青苹果香韵和白脱奶油样香气。 几乎不溶于水,但可以溶解在醇和油脂中。

计算性质

  • 辛醇/水分配系数(LogP):
    3.2
  • 重原子数:
    13
  • 可旋转键数:
    7
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.73
  • 拓扑面积:
    26.3
  • 氢给体数:
    0
  • 氢受体数:
    2

制备方法与用途

制备方法

异戊酸与叶醇在对甲苯磺酸催化下进行酯化反应,生成所需产物。

合成制备方法

同样地,异戊酸与叶醇也在对甲苯磺酸的催化作用下进行酯化反应,生成所需的产物。

用途简介

该产品广泛用于苹果、生梨、菠萝、梅子和薄荷等食用香精中作为修饰剂。此外,也可用作烟草香精成分。其产品质量含量在98%以上。

用途

此产品适用于制作苹果、生梨、菠萝、梅子及薄荷等多种食用香精,并可用作烟草香精的原料。其产品纯度达到98%以上。

文献信息

  • 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。
  • NOVEL COCRYSTALLIZATION
    申请人:CHILDS Scott L.
    公开号:US20110257430A1
    公开(公告)日:2011-10-20
    The present disclosure relates to novel cocrystals and novel methods for cocrystallization. In particular, the disclosure includes cocrystals comprising a salt of an active agent, such as a chloride salt of an active pharmaceutical ingredient. The present disclosure also relates to methods of preparing cocrystals and methods for screening for solid state phases.
    本公开涉及新型共晶体及新型共晶化方法。具体来说,公开包括包含活性物质的盐的共晶体,例如活性药物成分的氯化物盐。本公开还涉及制备共晶体的方法以及筛选固态相的方法。
  • DEODORANT COMPOSITION
    申请人:Takasago International Corporation
    公开号:EP1561476A1
    公开(公告)日:2005-08-10
    It is intended to provide a novel deodorant composition which is excellent in the deodorizing effect, is capable of affording a deodorant composition by a convenient method, and shows no decrease in the deodorizing performance even after a long period of time, once the deodorant being prepared. Specifically, there is provided a deodorant composition containing, as the active component, a colored compound obtainable by reacting a polyphenol in a solvent showing alkalinity in the coexistence of an oxygen molecule at a reaction pH value of 6.5 or more. As a substitute for a polyphenol, use can be made of a plant extract containing a polyphenol but containing substantially no amino acid. It is also possible to further employ an amino acid. Furthermore, use can be made of a plant extract and/or a plant body containing a polyphenol and an amino acid.
    本发明旨在提供一种新型除臭剂组合物,该除臭剂组合物除臭效果极佳,能够通过简便的方法获得除臭剂组合物,并且在制备除臭剂后,即使经过很长时间,除臭效果也不会降低。具体来说,本发明提供了一种除臭剂组合物,该组合物含有一种有色化合物作为活性成分,该有色化合物可通过在反应 pH 值为 6.5 或更高时,使多酚在与氧分子共存的显碱性溶剂中发生反应而获得。作为多酚的替代品,可以使用含有多酚但基本上不含氨基酸的植物提取物。也可以进一步使用氨基酸。此外,还可以使用含有多酚和氨基酸的植物提取物和/或植物体。
  • Screening for solid forms by ultrasound crystallization and cocrystallization using ultrasound
    申请人:APTUIT (KANSAS CITY), LLC
    公开号:EP2292585A1
    公开(公告)日:2011-03-09
    The present invention relates to cocrystals of fluoxctinc hydrochloride and benzoic acid. Furthermore, methods are provided for producing the cocrystals.
    本发明涉及盐酸氟辛酸和苯甲酸的共晶体。此外,还提供了生产这种共晶体的方法。
  • POLYURETHANE FIBER
    申请人:Toray Opelontex Co., Ltd
    公开号:EP2947185A1
    公开(公告)日:2015-11-25
    Provided is a fragrance-retaining fiber that, after absorption of a fragrance component, retains the fragrance even though a long period of time has passed. In particular, provided is a fragrance-retaining polyurethane-based fiber having, 48 hours after absorption of a fragrance component, a total fragrance component emission of from 0.1 µg/g·h to 1000 µg/g·h.
    本发明提供了一种保香纤维,该纤维在吸收香味成分后,即使经过很长时间仍能保持香味。特别是一种聚氨酯基保香纤维,在吸收香味成分 48 小时后,香味成分的总释放量为 0.1 µg/g-h 至 1000 µg/g-h。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
hnmr
mass
cnmr
ir
raman
  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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