2-甲基丁基己酸酯 | 2601-13-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 2-甲基丁基己酸酯
• 中文别名: 2-甲基己酸丁酯
• 英文名称: 2-methylbutyl hexanoate
• CAS: 2601-13-0
• 化学式: C₁₁H₂₂O₂
• mdl: MFCD00672770
• 分子量: 186.294
• InChiKey: ZWMQVDONBUJJLL-UHFFFAOYSA-N

物化性质

• 沸点：
  214.2±8.0 °C(Predicted)
• 密度：
  0.870±0.06 g/cm3(Predicted)
• LogP：
  4.196 (est)
• 保留指数：
  1196;1236;1236;1236;1240;1231

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  13
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.909
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2915900090

反应信息

• 作为产物：
  描述：

  戊醇 、 己酸 在 硫酸 作用下， 生成 2-甲基丁基己酸酯
  参考文献：
  名称：

  Guye; Chavanne, Bulletin de la Societe Chimique de France, 1896, vol. <3> 15, p. 292

  摘要：

  DOI：

文献信息

• [EN] PROCESSES FOR PRODUCING CARBOXYLIC ACIDS<br/>[FR] PROCÉDÉS DE PRODUCTION D'ACIDES CARBOXYLIQUES
  申请人：EASTMAN CHEM CO

  公开号：WO2020205348A1

  公开（公告）日：2020-10-08

  Processes are disclosed for preparing carboxylic acids from organic esters, the processes comprising contacting an ester with water in the presence of an acid catalyst and a homogenizing solvent at conditions effective to form a carboxylic acid. The homogenizing solvent is present in an amount sufficient to form a single-phase reaction mixture comprising the ester, water, and homogenizing solvent. The homogenizing solvent may be selected from acetonitrile, dimethyl sulfoxide, and 1,4-dioxane.

  公开了从有机酯制备羧酸的过程，该过程包括在酸催化剂和均相溶剂存在下将酯与水接触，以形成羧酸的有效条件。均相溶剂以足够量存在，以形成包括酯、水和均相溶剂的单相反应混合物。均相溶剂可以选择自乙腈、二甲基亚砜和1,4-二氧六环。
• An alcohol acyl transferase from apple (cv. Royal Gala), MpAAT1, produces esters involved in apple fruit flavor
  作者：Edwige J. F. Souleyre、David R. Greenwood、Ellen N. Friel、Sakuntala Karunairetnam、Richard D. Newcomb

  DOI：10.1111/j.1742-4658.2005.04732.x

  日期：——

  from Malus pumila (cv. Royal Gala). The MpAAT1 gene is expressed in leaves, flowers and fruit of apple. The recombinant enzyme can utilize a range of alcohol substrates from short to medium straight chain (C3–C10), branched chain, aromatic and terpene alcohols. The enzyme can also utilize a range of short to medium chain CoAs. The binding of the alcohol substrate is rate limiting compared with the binding

  苹果香精的特征是酯类化合物的组合，这些化合物在果实成熟时会显着增加。酯类生物合成的最后一步是由醇酰基转移酶（AAT）催化的，该酶使用辅酶A（CoA）供体和醇受体作为底物。从Malus pumila（cv。Royal Gala）中分离出了产生预期蛋白质的基因MpAAT1，该蛋白质含有其他植物酰基转移酶的特征。MpAAT1基因在苹果的叶子，花朵和果实中表达。重组酶可以利用各种醇底物，从短链到中等直链（C3-C10），支链，芳族和萜烯醇。该酶还可以利用一系列短链至中链的CoA。与CoA底物的结合相比，醇底物的结合是速率限制的。与Km值相比，不同的醇底物之间的营业额变化更大。MpAAT1能够产生Royal Gala水果中的许多酯，包括己酯，乙酸丁酯和乙酸2-甲基丁酯。其中，MpAAT1更喜欢生产C3，C6和C8 CoAs的己酯。但是，对于乙酸酯，MpAAT1的优先级取决于底物浓度。在低浓度的醇底物
• 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) 电子负载铬有机化合物；(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。
• 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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