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(E)-3-butylidene-3H-isobenzofuran-1-one | 76681-73-7

中文名称
——
中文别名
——
英文名称
(E)-3-butylidene-3H-isobenzofuran-1-one
英文别名
(3E)-3-butylidene-2-benzofuran-1-one;trans-3n-butylidenephthalide;(E)-3-butylidenephthalide;(3E)-butylidenephthalide;(E)-butylidenephthalide;E-3-butylidenephthalide;Butylidenephthalide
(E)-3-butylidene-3H-isobenzofuran-1-one化学式
CAS
76681-73-7
化学式
C12H12O2
mdl
——
分子量
188.226
InChiKey
WMBOCUXXNSOQHM-DHZHZOJOSA-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

  • LogP:
    3.388 (est)
  • 物理描述:
    Yellow liquid; pervasive warm spicy aroma
  • 溶解度:
    Insoluble in water; soluble in oils
  • 密度:
    1.098-1.103
  • 折光率:
    1.554-1.559
  • 保留指数:
    2618;2609;2609;2554;2554

计算性质

  • 辛醇/水分配系数(LogP):
    3.2
  • 重原子数:
    14
  • 可旋转键数:
    2
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.25
  • 拓扑面积:
    26.3
  • 氢给体数:
    0
  • 氢受体数:
    2

SDS

SDS:562a3fc5f554ee630a352ace0ecca1ad
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上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

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文献信息

  • BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
    申请人:SENOMYX, INC.
    公开号:US20160376263A1
    公开(公告)日:2016-12-29
    The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.
    本发明涵盖已知用于改变苦味感知的化合物和组合物,以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种:冷却剂;无活性药物成分;活性药用成分;食品添加剂或食品;调味剂或调味增强剂;食品或饮料产品;苦味化合物;甜味剂;苦味剂;酸味调味剂;咸味调味剂;鲜味调味剂;植物或动物产品;已知用于宠物护理产品中的化合物;已知用于个人护理产品中的化合物;已知用于家用产品中的化合物;制药制剂;局部制剂;大麻衍生或与大麻相关的产品;已知用于口腔护理产品中的化合物;饮料;香味、香水或除臭剂;已知用于消费品中的化合物;硅化合物;磨料;表面活性剂;发热剂;吸烟物品;脂肪、油脂或乳化剂;和/或益生菌或补充剂。
  • CYCLOPROPANE COMPOUND
    申请人:Kao Corporation
    公开号:US20190055179A1
    公开(公告)日:2019-02-21
    Provided are a compound and a fragrance composition that are excellent in harmony with various other fragrance materials and can be blended to impart a natural and fresh floral feeling. The present invention provides a cyclopropane compound represented by Formula (I) and a fragrance composition containing a cyclopropane compound represented by Formula (I): where R 1 is a methyl group and R 2 is a methyl group, or R 1 is a hydrogen atom and R 2 is an ethyl group.
    提供了一种化合物和香料组合物,与各种其他香料材料协调良好,可以混合使用,赋予自然和清新的花香感。本发明提供了一种由式(I)表示的环丙烷化合物和含有由式(I)表示的环丙烷化合物的香料组合物:其中R1为甲基基团,R2为甲基基团,或者R1为氢原子,R2为乙基基团。
  • COMPOUNDS USEFUL AS MODULATORS OF TRPM8
    申请人:Senomyx, Inc.
    公开号:US20170096418A1
    公开(公告)日:2017-04-06
    The present disclosure relates to compounds which are useful as cooling sensation compounds.
    本公开涉及作为冷感化合物有用的化合物。
  • Active-releasing cyclic siloxanes
    申请人:Perry J. Robert
    公开号:US20050136021A1
    公开(公告)日:2005-06-23
    Cyclic siloxanes that contain releasable active ingredients are described. The active ingredient can be an alcohol or enolizable carbonyl-containing compound such as a ketone, aldehyde, or ester. The product siloxanes are useful in a variety of personal and household care products where slow or controlled release of active ingredient is desired. A preferred embodiment utilizes substituents that when released as active ingredients are fragrant.
    本文描述了含有可释放活性成分的环状硅氧烷。活性成分可以是醇或可烯化羰基含有化合物,如酮,醛或酯。该产品硅氧烷在需要缓慢或受控释放活性成分的各种个人和家庭护理产品中非常有用。一种首选实施方案利用了当作为活性成分释放时具有香味的取代基。
  • Cyclic siloxane compositions for the release of active ingredients
    申请人:Perry J. Robert
    公开号:US20050136022A1
    公开(公告)日:2005-06-23
    Cyclic siloxanes that contain releasable active ingredients are described. The active ingredient can be an alcohol or enolizable carbonyl-containing compound such as a ketone, aldehyde, or ester. The product siloxanes are useful in a variety of personal and household care products where slow or controlled release of active ingredient is desired. A preferred embodiment utilizes substituents that when released as active ingredients are fragrant.
    描述了含有可释放活性成分的环状硅氧烷。活性成分可以是醇或可烯化羰基含有化合物,如酮,醛或酯。产品硅氧烷在需要缓慢或控制释放活性成分的各种个人和家庭护理产品中非常有用。首选实施方式利用当作为活性成分释放时具有芳香性的取代基。
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