2,5-二甲基庚酸 | 15313-67-4

• 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: 2,5-二甲基庚酸
• 中文别名: 2,5-二甲基戊酸
• 英文名称: 2,5-dimethylheptanoic acid
• CAS: 15313-67-4
• 化学式: C₉H₁₈O₂
• 分子量: 158.241
• InChiKey: FADNIPWIJRZXGM-UHFFFAOYSA-N

物化性质

• 沸点：
  246.47°C (estimate)
• 密度：
  0.9113 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-乙基己醇 、 一氧化碳 在 氢气 、 rhodium 2-ethylhexanoate 、 氧气 、 potassium hydroxide 作用下， 50.0~350.0 ℃ 、19.0 MPa 条件下， 反应 8.0h， 生成 2,5-二甲基庚酸 、 6-甲基辛酸 、 3-乙基庚酸 、 2-乙基庚酸 、 2,3-二甲基庚酸 、 4-甲基辛酸 、 2-ethyl-4-methylhexanoic acid
  参考文献：
  名称：

  Method for Producing Isononanoic Acids from 2-Ethyl Hexanol

  摘要：

  从2-乙基己醇制备异壬酸的过程，其特征在于：（a）在催化剂的存在下，将2-乙基己醇脱水成辛烯；（b）在步骤（a）中获得的辛烯在元素周期表第VIII族的过渡金属化合物存在下与一氧化碳和氢反应，生成异壬醛；（c）在步骤（b）中获得的异壬醛被氧化成异壬酸。

  公开号：

  US20150191410A1

文献信息

• Method for Producing Isononanoic Acid Esters, Starting from 2-Ethyl Hexanol
  申请人：Oxea GmbH

  公开号：US20150158805A1

  公开（公告）日：2015-06-11

  A Process for preparing carboxylic esters of a mixture of structurally branched C9 monocarboxylic acids proceeding from 2-ethylhexanol is characterized in that (a) 2-ethylhexanol is dehydrated to an octene mixture in the presence of a catalyst; (b) the octene mixture obtained in step a) is reacted in the presence of a transition metal compound of group VIII of the periodic table of the elements with carbon monoxide and hydrogen to give a mixture of isomeric isononanals; (c) the mixture of isomeric isononanals obtained in step b) is oxidized to a mixture of structurally branched C9 monocarboxylic acids; and (d) the mixture of structurally branched C9 monocarboxylic acids obtained in step c) is reacted with alcohols to give carboxylic esters.

  一种制备从2-乙基己醇出发的结构分支C9单羧酸酯混合物的方法，其特征在于 (a) 在催化剂存在下，将2-乙基己醇脱水成为辛烯混合物； (b) 在步骤a)中获得的辛烯混合物在元素周期表第VIII族的过渡金属化合物存在下与一氧化碳和氢反应，得到异辛醛的混合物； (c) 在步骤b)中获得的异辛醛混合物被氧化成结构分支的C9单羧酸的混合物；以及 (d) 在步骤c)中获得的结构分支C9单羧酸混合物与醇反应，得到羧酸酯。
• Vinyl Esters of Isononanoic Acid Starting from 2-Ethyl Hexanol, Methods for the Production Thereof and Use Thereof
  申请人：Oxea Gmbh

  公开号：US20150166456A1

  公开（公告）日：2015-06-18

  Process for preparing the vinyl ester of isononanoic acid starting out from 2-ethylhexanol, characterized in that (a) 2-ethylhexanol is dehydrated in the presence of a catalyst to form octene; (b) the octene obtained in step a) is converted into an isononanoic acid having one more carbon atom; and (c) the isononanoic acid obtained in step b) is converted into the corresponding vinyl ester.

  从2-乙基己醇开始制备异壬酸乙烯酯的过程，其特征在于(a)在催化剂的存在下，将2-乙基己醇脱水形成辛烯；(b)将步骤(a)中获得的辛烯转化为具有一个碳原子的异壬酸；(c)将步骤(b)中获得的异壬酸转化为相应的乙烯酯。
• REFRIGERATING MACHINE OIL AND WORKING FLUID COMPOSITION FOR REFRIGERATING MACHINES
  申请人：JX Nippon Oil & Energy Corporation

  公开号：EP2610329A1

  公开（公告）日：2013-07-03

  The refrigerating machine oil of the invention includes an ester of a polyhydric alcohol and a fatty acid, wherein the molar ratio of C4-C6 fatty acid and C7-C9 branched fatty acid in the fatty acid is between 15:85 and 90:10, the C4-C6 fatty acid includes 2-methylpropanoic acid, and the ratio of the total C4-C6 fatty acid and C7-C9 branched fatty acid in the total fatty acids composing the ester is at least 20 mol%. The working fluid composition for a refrigerating machine according to the invention comprises the refrigerating machine oil, a difluoromethane refrigerant and/or an unsaturated fluorinated hydrocarbon refrigerant.

  本发明的冷冻机油包括多元醇和脂肪酸的酯，其中脂肪酸中C4-C6脂肪酸和C7-C9支链脂肪酸的摩尔比在15:85和90:10之间，C4-C6脂肪酸包括2-甲基丙酸，组成酯的总脂肪酸中C4-C6脂肪酸和C7-C9支链脂肪酸的比例至少为20 mol%。根据本发明，用于制冷机的工作液组合物包括制冷机油、二氟甲烷制冷剂和/或不饱和氟化碳氢化合物制冷剂。
• REFRIGERATOR OIL COMPOSITION, METHOD FOR PRODUCING SAME, AND WORKING FLUID COMPOSITION FOR REFRIGERATORS
  申请人：JX Nippon Oil & Energy Corporation

  公开号：EP2818537A1

  公开（公告）日：2014-12-31

  A refrigerating machine oil composition comprising at least one ester additive selected from tetraesters of pentaerythritol and one selected from fatty acids having 5 to 18 carbon atoms and hexaesters of dipentaerythritol and one selected from fatty acids having 5 to 18 carbon atoms, and a base oil that is an ester other than the ester additive, in which the content of the ester additive is 2 to 20 mass% based on the total amount of the refrigerating machine oil composition, and the kinematic viscosity of the refrigerating machine oil composition at 40°C is 3 to 500 mm2/s.

  一种冷冻机油组合物，包含至少一种酯类添加剂，选自季戊四醇四酯和一种选自具有 5 至 18 个碳原子的脂肪酸，以及季戊四醇六酯和一种选自具有 5 至 18 个碳原子的脂肪酸、以及除酯类添加剂之外的酯类基础油，其中酯类添加剂的含量为冷冻机油组合物总量的 2 至 20%，且冷冻机油组合物在 40°C 时的运动粘度为 3 至 500 mm2/s。
• COMPOSITION FOR HEAT CYCLE SYSTEM, AND HEAT CYCLE SYSTEM
  申请人：Asahi Glass Company, Limited

  公开号：EP3109302A1

  公开（公告）日：2016-12-28

  To provide a composition for a heat cycle system having favorable lubricating properties and comprising a working fluid for heat cycle which has a low global warming potential and which can replace R410A, and a heat cycle system employing the composition. A composition for a heat cycle system, which comprises a working fluid for heat cycle containing an unsaturated fluorinated hydrocarbon compound having a specific structure, and a refrigerant oil having a breakdown voltage of at least 25 kV, a hydroxy value of at most 0.1 mgKOH/g, and an aniline point of at least -100°C and at most 0°C, and a heat cycle system employing the composition for a heat cycle system.

  提供一种用于热力循环系统的组合物，该组合物具有良好的润滑性能，包含一种热力循环用工作流体，该工作流体具有较低的全球升温潜能值，可替代 R410A，并提供一种采用该组合物的热力循环系统。 一种用于热力循环系统的组合物，它包括一种热力循环用工作流体，其中含有一种具有特定结构的不饱和含氟碳氢化合物，以及一种冷冻油，其击穿电压至少为 25 kV，羟值至多为 0.1 mgKOH/g，苯胺点至少为 -100°C 且至多为 0°C。