2-甲基丁酸戊酯 | 68039-26-9

• 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-甲基丁酸戊酯
• 英文名称: pentyl 2-methylbutanoate
• 英文别名: pentyl 2-methylbutyrate；amyl 2-methylbutyrate
• CAS: 68039-26-9
• 化学式: C₁₀H₂₀O₂
• mdl: MFCD00129713
• 分子量: 172.268
• InChiKey: RHNBXPIJLXBHMF-UHFFFAOYSA-N

物化性质

• 沸点：
  195.7±8.0 °C(Predicted)
• 密度：
  0.872±0.06 g/cm3(Predicted)
• LogP：
  3.686 (est)
• 保留指数：
  1123;1126;1124;1126;1121;1126

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  12
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温且干燥

反应信息

• 作为产物：
  描述：

  2-甲基丁酸 、 戊醇 在 Mucor javanicus lipasa immobilized on sugarcane bagasse 作用下， 以 正己烷 为溶剂， 反应 2.0h， 生成 2-甲基丁酸戊酯
  参考文献：
  名称：

  固定化脂肪酶催化的（R，S）-2-甲基丁酸的酶促拆分

  摘要：

  在昆虫信息素前体（R，S）-2-甲基丁酸的对映选择性酯化中，已经探索了几种固定化脂肪酶的应用。在使用假丝酵母B的情况下，以己烷为溶剂，在2小时内制备了（R）-戊基2-甲基丁酸酯，其c约为40％，ee p约为90％，E  = 35，而羊毛嗜热霉菌导致c约为18％，ee p 91％，E  =26。（S）-对映异构体是通过使用假丝酵母或米根霉获得的（2-h反应，c分别为34％和35％，eep 75和49％， E 分别为10和4）。在最佳条件下，评估了溶剂，摩尔比和亲核试剂的作用。

  DOI：

  10.1002/chir.22779

文献信息

• Shape memory polymers
  申请人：Anthamatten Mitchell L.

  公开号：US20080177303A1

  公开（公告）日：2008-07-24

  The present disclosure relates to Shape Memory Polymers (SMP's) comprising function groups that allow the polymers to be elastically deformed, utilized in the elastically deformed state, and subsequently returned to the original polymorphic shape.

  本公开涉及形状记忆聚合物（SMP），其中包含允许聚合物弹性变形的功能基团，可在弹性变形状态下使用，并随后返回到原始的多态形状。
• Shape Memory Polymers
  申请人：Anthamatten Mitchell L.

  公开号：US20110251364A1

  公开（公告）日：2011-10-13

  The present disclosure relates to Shape Memory Polymers (SMP's) comprising function groups that allow the polymers to be elastically deformed, utilized in the elastically deformed state, and subsequently returned to the original polymorphic shape.

  本公开涉及具有功能基团的形状记忆聚合物（SMP），这些功能基团使聚合物能够弹性变形，在弹性变形状态下使用，并随后返回到原始的多形态形状。
• LUBRICATING OIL FOR REFRIGERATOR, HYDRAULIC FLUID COMPOSITION FOR REFRIGERATOR AND METHOD FOR LUBRICATION OF REFRIGERATOR
  申请人：NEW JAPAN CHEMICAL CO.,LTD.

  公开号：EP1225213A1

  公开（公告）日：2002-07-24

  The invention provides a lubricating oil for refrigerators, comprising (a) at least one ester represented by the formula (1) wherein R1 is C1 to C18 straight-chain alkyl or C3 to C18 branched-chain alkyl; R2 is H, C1 to C18 straight-chain alkyl or C3 to C18 branched-chain alkyl; with the poviso that the total number of carbons contained in the alkyls represented by R1 and R2 is 2 to 18 and that when R2 is H, R1 is branched-chain alkyl; and R3 is C1 to C20 straight-chain alkyl, C3 to C20 branched-chain alkyl or C3 to C10 cycloalkyl, optionally in combination with (b) at least one member selected from the group consisting of fatty acid polyol esters, phthalic acid esters, alicyclic dicarboxylic acid esters, polyvinyl ethers, hydrocarbon oils and polyalkylene glycols; as well as a method for lubricating a refrigerator using such a lubricating oil, and a working fluid composition for refrigerators comprising (I) component (a) or components (a) and (b) and (II) a refrigerant.

  本发明提供了一种用于冰箱的润滑油，包括 (a) 至少一种由式 (1) 代表的酯类 其中 R1 是 C1 至 C18 直链烷基或 C3 至 C18 支链烷基；R2 是 H、C1 至 C18 直链烷基或 C3 至 C18 支链烷基；前提是 R1 和 R2 所代表的烷基所含的碳总数为 2 至 18，且当 R2 为 H 时，R1 为支链烷基；和 R3 是 C1 至 C20 直链烷基、C3 至 C20 支链烷基或 C3 至 C10 环烷基，可选择与 (b) 至少一种选自脂肪酸多元醇酯、邻苯二甲酸酯、脂环二羧酸酯、聚乙烯醚、烃油和聚烷基二 醇组成的组的成员结合使用；以及一种使用这种润滑油润滑冰箱的方法，和一种用于冰箱的工作液组合物，该组合物包括 (I) 成分 (a) 或成分 (a) 和 (b) 以及 (II) 制冷剂。
• Olfactory signature and odorant mixture having the same
  申请人：Yeda Research and Development Co. Ltd.

  公开号：US11062794B2

  公开（公告）日：2021-07-13

  An odorant mixture is disclosed. The odorant mixture comprises N odorant components wherein N equals at least 20. Each odorant component is characterized by a multidimensional vector of attributes. A z score of an average of characteristic distances between vectors corresponding to odorant components in the mixture and vectors corresponding to odorant components in a group of M odorant components but not in the mixture is less than 2.

  本发明公开了一种气味剂混合物。气味剂混合物包括 N 种气味剂成分，其中 N 至少等于 20。每个气味成分由一个多维属性向量表征。混合物中的气味成分对应向量与 M 组气味成分中但不在混合物中的气味成分对应向量之间的平均特征距离的 Z 值小于 2。
• Nematicidal Activity of Natural Ester Compounds and Their Analogues against Pine Wood Nematode, <i>Bursaphelenchus xylophilus</i>
  作者：Seon-Mi Seo、Junheon Kim、Sang-Hyun Koh、Young-Joon Ahn、Il-Kwon Park

  DOI：10.1021/jf503631e

  日期：2014.9.17

  In this study, we evaluated the nematicidal activity of natural ester compounds against the pine wood nematode, Bursaphelenchus xylophilus, to identify candidates for the development of novel, safe nematicides. We also tested the nematicidal activity of synthesized analogues of these ester compounds to determine the structure-activity relationship. Among 28 ester compounds tested, isobutyl 2-methylbutanoate, 3-methylbutyl 2-methylbutanoate, 3-methylbutyl tiglate, 3-methyl-2-butenyl 2-methylbutanoate, and pentyl 2-methylbutanoate showed strong nematicidal activity against the pine wood nematode at a 1 mg/mL concentration. The other ester compounds showed weak nematicidal activity. The LC50 values of 3-methylbutyl tiglate, isobutyl 2-methylbutanoate, 3-methylbutyl 2-methylbutanoate, 3-methyl-2-butenyl 2-methylbutanoate, and pentyl 2-methylbutanoate were 0.0218, 0.0284, 0.0326, 0.0402, and 0.0480 mg/mL, respectively. The ester compounds described herein merit further study as potential nematicides for pine wood nematode control.

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