己二酸二(6-甲基庚)酯 | 105-96-4

• 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: 己二酸二(6-甲基庚)酯
• 中文别名: 二(6-甲基庚基)己二酸；己二酸二异辛酯；二(6-甲基庚基)己二酸酯；己二酸二异辛酯(不提供纯度和COA)
• 英文名称: diisooctyl adipate
• 英文别名: Di-isooctyl-adipat；bis(6-methylheptyl) hexanedioate
• CAS: 105-96-4；1330-86-5
• 化学式: C₂₂H₄₂O₄
• 分子量: 370.573
• InChiKey: CJFLBOQMPJCWLR-UHFFFAOYSA-N

物化性质

• 物理描述：
  Liquid
• 颜色/状态：
  COLORLESS OR VERY PALE AMBER LIQ
• 气味：
  SLIGHT AROMATIC SMELL
• 沸点：
  205-220 °C @ 4 mm HG
• 熔点：
  -70 °C
• 闪点：
  210 °C (410 °F)
• 密度：
  0.930 @ 20 °C
• 保留指数：
  2444

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  26
• 可旋转键数：
  19
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.909
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

ADMET

毒理性

• 解毒与急救

/SRP:/ 基本治疗：建立专利气道。如有必要，进行吸痰。观察呼吸不足的迹象，如有必要，进行辅助通气。通过非循环呼吸面罩以10至15升/分钟的速度给予氧气。监测肺水肿，并在必要时进行治疗……监测休克，并在必要时进行治疗……对于眼睛污染，立即用水冲洗眼睛。在运输过程中，用生理盐水连续冲洗每只眼睛……不要使用催吐剂。对于摄入，如果患者能吞咽、有强烈的呕吐反射并不流口水，则用水冲洗口腔，并给予5毫升/千克，最多200毫升的水进行稀释。给予活性炭……/酯类及相关化合物/

/SRP:/ Basic Treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Esters and related compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

/SRP:/ 高级治疗：对于无意识的病人，考虑进行口咽或鼻咽气管插管以控制气道。使用气囊面罩装置的正压通气技术可能有益。监测心率和必要时治疗心律失常... . 使用D5W开始静脉输液 /SRP: "保持开放"，最低流速/. 如果出现低血容量的迹象，使用乳酸钠林格液。注意液体过载的迹象。对于伴有低血容量迹象的低血压，谨慎给予液体。如果病人在正常血容量时出现低血压，考虑使用血管加压药。注意液体过载的迹象... . 考虑使用药物治疗肺水肿... . 使用丙美卡因氢氯化物协助眼部冲洗... . /酯类和相关化合物/

/SRP:/ Advanced Treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias if necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Consider drug therapy for pulmonary edema ... . Use propaparacaine hydrochloride to assist eye irrigation ... . /Esters and related compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

未观察到急性效应，但在口服给药后的一些小时内，剂量等于或小于14毫升/千克体重的丁二酸二辛酯给豚鼠，随后的几天（3-21天）内有一半的动物死亡。/丁二酸二辛酯/

NO ACUTE EFFECT HAS BEEN OBSERVED SOME HR AFTER ORAL ADMIN TO GUINEA-PIGS OF DOSES OF DIOCTYL ADIPATE EQUAL TO OR LESS THAN 14 ML/KG BODY WT. YET IN SUCCEEDING DAYS (3-21 DAYS) HALF THE ANIMALS DIED. /DIOCTYL ADIPATE/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

口服...5毫升/公斤的剂量在豚鼠中没有导致任何死亡，而20毫升/公斤的剂量导致所有动物在随后的周内最终死亡。死亡前出现了进行性的衰弱和肌肉萎缩。/己二酸二辛酯/

/ORAL/...DOSES OF 5 ML/KG DID NOT CAUSE ANY MORTALITY /IN GUINEA PIGS/, WHILE WITH 20 ML/KG ALL ANIMALS ULTIMATELY SUCCUMBED IN THE ENSUEING WK. DEATH WAS PRECEDED BY PROGRESSIVE ENFEEBLEMENT & MUSCULAR ATROPHY. /DIOCTYL ADIPATE/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

喜欢二辛酸二异辛酯，二异辛基己二酸酯具有轻微的急性和慢性毒性。

LIKE DIOCTYL ADIPATE DI-ISO-OCTYL ADIPATE HAS A SLIGHT ACUTE & CHRONIC TOXICITY.

来源:Hazardous Substances Data Bank (HSDB)

反应信息

• 作为产物：
  描述：

  己二酸 、 C7-9-烷基醇 在 甲烷 、 对甲苯磺酸 作用下， 反应 0.01h， 以91%的产率得到己二酸二(6-甲基庚)酯
  参考文献：
  名称：

  微波辐射对活性炭的酯化

  摘要：

  制备酯的最常用方法是通常由酸催化的羧酸的酯化，通过共沸去除水使平衡转移到产物。某些酸如H、SO或对甲苯磺酸具有强腐蚀性，必须使用大量有机溶剂和较长的反应时间。这种方法也会导致环境问题。虽然固体酸催化剂是一种改进，但它们的使用也需要几个小时才能完成反应。' 微波在有机合成中的应用是由 Gedye 和 Majetich 及其同事在 1986 年的开创性工作引发的。最近的报告表明，与传统加热相比，有机反应可以在微波炉中安全地进行，其反应速度显着提高，反应时间显着减少。在这些研究中，无溶剂条件受到越来越多的关注，因为它们具有避免使用溶剂和对环境更友好的优势。~ 无溶剂条件下微波辐射对酯化速率的影响也进行了研究。5 使用蒙脱石催化剂在羧酸或羧酸根离子与卤代烃的酯化中获得了良好的结果。但在工业上普遍使用的羧酸与醇的酯化反应中，使用无机固体载体如硅胶（SiO2）、氧化铝（A120J、经证明，无溶剂反应下

  DOI：

  10.1080/00304940009355928

文献信息

• Novolac resin-containing resist underlayer film-forming composition using bisphenol aldehyde
  申请人：NISSAN CHEMICAL INDUSTRIES, LTD.

  公开号：US10017664B2

  公开（公告）日：2018-07-10

  Resist underlayer film-forming composition for forming resist underlayer film with high dry etching resistance, wiggling resistance and exerts good flattening property and embedding property for uneven parts, including resin obtained by reacting organic compound A including aromatic ring and aldehyde B having at least two aromatic hydrocarbon ring groups having phenolic hydroxy group and having structure wherein the aromatic hydrocarbon ring groups are bonded through tertiary carbon atom. The aldehyde B may be compound of Formula (1): The obtained resin may have a unit structure of Formula (2): Ar1 and Ar2 each are C6-40 aryl group. The organic compound A including aromatic ring may be aromatic amine or phenolic hydroxy group-containing compound. The composition may contain further solvent, acid and/or acid generator, or crosslinking agent. Forming resist pattern used for semiconductor production, including forming resist underlayer film by applying the resist underlayer film-forming composition onto semiconductor substrate and baking it.

  用于形成具有高干法蚀刻抗性、抗扭曲性并具有良好的平整性和嵌入性能的抗蚀底层膜形成组合物，包括通过使含有芳香环的有机化合物A和至少具有两个含酚羟基的芳香烃环团的醛B反应而获得的树脂，并具有芳香烃环团通过三级碳原子键合的结构。醛B可以是化合物的化学式（1）： 所得的树脂可能具有化学式（2）的单元结构： Ar1和Ar2各自是C6-40芳基团。含有芳香环的有机化合物A可能是芳香胺或含酚羟基的化合物。该组合物可能进一步含有溶剂、酸和/或酸发生剂，或交联剂。用于半导体生产的形成抗蚀图案，包括通过将抗蚀底层膜形成组合物涂覆在半导体衬底上并对其进行烘烤来形成抗蚀底层膜。
• ANIMAL ECTOPARASITE CONTROL COMPOSITION
  申请人：NISHIGUCHI Naonobu

  公开号：US20110160251A1

  公开（公告）日：2011-06-30

  The present invention provides an animal ectoparasite control composition containing an insecticidal component and an adipate, and a method of controlling an animal ectoparasite which comprises administering an effective amount of the animal ectoparasite control composition to an animal.

  本发明提供了一种含有杀虫成分和己二酸酯的动物外寄生虫控制组合物，以及一种控制动物外寄生虫的方法，包括向动物施用有效量的动物外寄生虫控制组合物。
• 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。
• LOW VISCOSITY LOW VOLATILITY LUBRICATING OIL BASE STOCKS AND METHODS OF USE THEREOF
  申请人：ExxonMobil Research and Engineering Company

  公开号：US20170183595A1

  公开（公告）日：2017-06-29

  A lubricating oil base stock including one or more monoesters represented by the formula (I), (II), (III) and (IV) as defined herein. The lubricating oil base stock has a high temperature high shear (HTHS) viscosity of less than about 1.7 cP as determined by ASTM D4683, and a Noack volatility from about 15 to about 90 percent as determined by ASTM D5800. A lubricating oil containing the lubricating oil base stock including one or more monoesters represented by the formula (I), (II), (III) and (IV) as defined herein. A method for improving one or more of thermal and oxidative stability, solubility and dispersancy of polar additives, deposit control and traction control in a lubricating oil by using as the lubricating oil a formulated oil containing the lubricating oil base stock including one or more monoesters represented by the formula (I), (II), (III) and (IV) as defined herein.

  一种润滑油基础油，包括根据本文所定义的公式(I)、(II)、(III)和(IV)表示的一个或多个单酯。该润滑油基础油的高温高剪切（HTHS）粘度小于约1.7厘泊，由ASTM D4683确定，挥发性从约15%到约90%，由ASTM D5800确定。一种含有根据本文所定义的公式(I)、(II)、(III)和(IV)表示的一个或多个单酯的润滑油基础油的润滑油。一种通过使用包含根据本文所定义的公式(I)、(II)、(III)和(IV)表示的一个或多个单酯的润滑油基础油的配制油来改善润滑油中的热稳定性、氧化稳定性、溶解性和分散性、沉积控制和牵引控制的方法。
• Film tear-tape and packaging film having tear-tape adherent thereto
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0015063A1

  公开（公告）日：1980-09-03

  The invention provides a tear-tape for attachment to a polymeric packaging film, the tape comprising a thermoplastic polymeric substrate having on a surface thereof a layer of a sealing resin comprising a blend of an ethylene-vinyl acetate copolymer and a plasticizer therefor. The invention also provides a tearable packaging film and a tearable film package employing the resin-plasticizer blend as an adhesive medium. Bonding between the tear-tape and a packaging film substrate is enhanced by the presence of the plasticizer.

  该发明提供了一种撕裂带，用于附着在聚合物包装薄膜上，该带包括具有封口树脂层的热塑性聚合物基材，所述封口树脂层包括乙烯-醋酸乙烯共聚物和其塑化剂的混合物。该发明还提供了一种可撕裂的包装薄膜和一种使用树脂-塑化剂混合物作为粘合介质的可撕裂薄膜包装。撕裂带与包装薄膜基材之间的粘合由于塑化剂的存在而得到增强。

表征谱图