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2-Methylpentyl hexanoate

中文名称
——
中文别名
——
英文名称
2-Methylpentyl hexanoate
英文别名
——
2-Methylpentyl hexanoate化学式
CAS
——
化学式
C12H24O2
mdl
——
分子量
200.32
InChiKey
DDGPEGWSQUBDPM-UHFFFAOYSA-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

计算性质

  • 辛醇/水分配系数(LogP):
    4.3
  • 重原子数:
    14
  • 可旋转键数:
    9
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.92
  • 拓扑面积:
    26.3
  • 氢给体数:
    0
  • 氢受体数:
    2

文献信息

  • PYRIMIDINE DERIVATIVE, PRODUCTION THEREOF, AND ANDROGEN INHIBITOR
    申请人:OTSUKA PHARMACEUTICAL CO., LTD.
    公开号:EP0503099A1
    公开(公告)日:1992-09-16
    A pyrimidine derivative represented by general formula (I), a pharmaceutically acceptable salt thereof, and an androgen inhibitor comprising the same having an excellent effect of treating prostatic hyperplasia, female hypertrichosis, and male baldness or pimple: wherein R¹ represents hydrogen or hydroxyl; R² represents hydrogen, lower alkoxycarbonyl, lower alkoxy, halogen, lower alkyl, C₃ to C₈ cycloalkyl, lower alkoxycarbonyl lower alkyl, carboxyl, carboxylated lower alkyl, CONHR, cyano, phenyl, phenylated lower alkyl, lower alkanoyloxy lower alkyl, benzoyl, lower alkanoyl or hydroxylated lower alkyl; R³ represents hydrogen, hydroxy, lower alkyl, C₃ to C₈ cycloalkyl, halogenated lower alkyl or phenyl; R⁴ represents hydrogen, lower alkyl or lower alkoxy, R⁵ represents hydrogen, lower alkyl, lower alkoxy lower alkyl or halogenated lower alkyl.
    一种由通式(I)代表的嘧啶生物、其药学上可接受的盐,以及由其组成的雄激素抑制剂,具有治疗前列腺增生、女性多毛症、男性秃头或丘疹的良好效果:其中,R¹代表氢或羟基;R²代表氢、低级烷氧基羰基、低级烷氧基、卤素、低级烷基、C₃至C₈环烷基、低级烷氧基羰基低级烷基、羧基、羧化低级烷基、CONHR、基、苯基、苯基化低级烷基、低级烷酰氧基低级烷基、苯甲酰基、低级烷酰基或羟化低级烷基;R³ 代表氢、羟基、低级烷基、C₃至 C₈ 环烷基、卤代低级烷基或苯基;R⁴ 代表氢、低级烷基或低级烷氧基,R⁵ 代表氢、低级烷基、低级烷氧基低级烷基或卤代低级烷基。
  • Thermochromic microencapsulated pigments
    申请人:THE PILOT INK CO., LTD.
    公开号:EP1084860A2
    公开(公告)日:2001-03-21
    Disclosed is a thermochromic microencapsulated pigment which comprises as four essential components (a) an electron-donating chromatic organic compound, (b) an electron-accepting compound, (c) a reaction medium determining the temperatures at which the color reactions of component (a) with component (b) take place, and (d) a color change temperature regulator, the color change temperature regulator (d) comprising one or more compounds selected from the group consisting of esters, alcohols, ketones, acid amides, hydrocarbons, and fatty acids and having a melting point Y (°C) satisfying the relationship (X+30)°C≤Y≤200°C, wherein X (°C) is the melting point of component (c), and the four essential components being microencapsulated.
    本发明公开了一种热致变色微胶囊颜料,它由四种基本成分组成:(a) 一种电子供色有机化合物;(b) 一种电子受色化合物;(c) 一种决定成分(a)与成分(b)发生颜色反应的温度的反应介质;(d) 一种变色温度调节剂、变色温度调节剂(d)包括一种或多种从酯、醇、酮、酸酰胺、烃和脂肪酸组成的组中选出的化合物,其熔点 Y(℃)满足(X+30)℃≤Y≤200℃的关系,其中 X(℃)是组分(c)的熔点,四种基本组分被微胶囊化。
  • Thermally color-developing reversibly thermochromic pigment
    申请人:THE PILOT INK CO., LTD.
    公开号:EP1323540A2
    公开(公告)日:2003-07-02
    A thermally color-developing reversibly thermochromic pigment which shows a uniform color density in the coloring temperature range and also shows an optional ΔH value within a range of from 3 to 40°C of the ΔH value (hysteresis temperature range) in a temperature-color density curve. Thermally color-developing reversibly thermochromic pigments of a three component system having a ΔH value of within a range of from 7 to 40°C in which at least essential three components including (a) an electron-donating chromic organic compound, (b) a specified compound selected from gallic acid esters and (c) a reaction medium selected from alcohols, esters, ketones and hydrocarbons, which reversibly generates color reactions of both of the compounds within a specified temperature range and has a melting point of less than 50°C, are microencapsulated, and of a four component system having a ΔH value of within a range of from 3 to 25°C in which a compound (d) selected from monomer compounds having a melting point of 50°C or more or polymer compounds having a softening point of 70°C or more is added to the three component system.
    一种热显色可逆热致变色颜料,在着色温度范围内显示出均匀的色密度,同时在温度-色密度曲线上显示出ΔH 值在ΔH 值的 3 至 40°C 范围内(滞后温度范围)的可选ΔH 值。热显色可逆热致变色颜料的三组分体系,其 ΔH 值在 7 至 40°C 范围内,其中至少必不可少的三组分包括:(a) 电子负载有机化合物;(b) 选自没食子酸酯的特定化合物;(c) 选自醇、酯、酮和烃的反应介质、(c)选自醇、酯、酮和碳氢化合物的反应介质;(d)选自熔点为 50℃或以上的单体化合物或软化点为 70℃或以上的聚合物化合物的化合物;(e)选自熔点为 50℃或以上的单体化合物或软化点为 70℃或以上的聚合物化合物的反应介质。
  • POLYOLEFIN RESIN COMPOSITION
    申请人:Adeka Corporation
    公开号:EP2319882A1
    公开(公告)日:2011-05-11
    The present invention provides a polyolefin-based resin composition containing a crystal nucleating agent having a specific structure, which polyolefin-based resin composition has a superior transparency and whose crystallization is facilitated. The polyolefin-based resin composition is characterized by comprising, with respect to 100 parts by mass of a polyolefin-based resin, 0.01 to 1 parts by mass of at least one crystal nucleating agent selected from the group consisting of crystal nucleating agents each having a structure represented by one of the following Formulae (1) to (6):
    本发明提供了一种含有具有特定结构的成核剂的聚烯烃基树脂组合物,该聚烯烃基树脂组合物具有优越的透明度,并有利于其结晶。 该聚烯烃基树脂组合物的特征是,相对于 100 质量份的聚烯烃基树脂,含有 0.01 至 1 质量份的至少一种成核剂,该成核剂选自具有下式(1)至(6)之一结构的成核剂:
  • REVERSIBLY THERMOCHROMIC COMPOSITION, AND REVERSIBLY THERMOCHROMIC MICROCAPSULE PIGMENT HAVING SAME ENCLOSED THEREIN
    申请人:The Pilot Ink Co., Ltd
    公开号:EP3608386A1
    公开(公告)日:2020-02-12
    [Problems] The present invention provides a highly marketable reversibly color changeable composition which provides a vivid yellow to orange color during color development, turns colorless during decoloration, and improves light resistance and a reversibly thermochromic microcapsule pigment encapsulating the same. [Solution] Disclosed are a reversibly thermochromic composition including: (a) a specific pyridine derivative as an electron-donating color-developing organic compound; (b) an electron-accepting compound; and (c) a reaction medium which reversibly induces an electron transfer reaction between the component (a) and the component (b) in a specific temperature range, and a reversibly thermochromic microcapsule pigment encapsulating the same.
    问题 本发明提供了一种高度市场化的可逆变色组合物,该组合物在显色过程中提供鲜艳的黄色至橙色,在脱色过程中变成无色,并提高了耐光性,还提供了封装该组合物的可逆热变色微胶囊颜料。 [解决方案] 本发明公开了一种可逆热致变色组合物,包括:(a)作为电子捐赠显色有机化合物的特定吡啶衍生物;(b)电子接受化合物;和(c)在特定温度范围内可逆地诱导组分(a)和组分(b)之间发生电子转移反应的反应介质,以及封装该组合物的可逆热致变色微胶囊颜料
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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
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  • 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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