2,2-二(羟基甲基)丁基辛酸酯 | 55680-38-1

• 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: 2,2-二(羟基甲基)丁基辛酸酯
• 英文名称: trimethylolpropane caprylate
• 英文别名: 2,2-Bis(hydroxymethyl)butyl octanoate
• CAS: 55680-38-1
• 化学式: C₁₄H₂₈O₄
• 分子量: 260.374
• InChiKey: VTXXMYYOSSNAFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  三羟甲基丙烷 、 辛酸 在 Candida sp. 99-125 immobilized on a textile membrane 作用下， 以 水 为溶剂， 反应 6.0h， 生成 2,2-二(羟基甲基)丁基辛酸酯
  参考文献：
  名称：

  Synthesis of trimethylolpropane esters with immobilized lipase from Candida sp. 99–125

  摘要：

  The lubricants of the future have to be more environmentally adapted, have a higher level of performance. Synthesis esters (SEs) which can be used as raw materials for biodegradable lubricant base oils are increasing in popularity due to superior technical properties. Direct esterification of trimethylolpropane (TMP) with fatty acid in a solvent free system, by immobilized lipase from Candida sp. 99-125 was studied. Investigations of important factors were carried out involving temperature, time, enzyme amount, substrates molar ratio and water content. For 2g caprylic acid, under the optimal conditions, with 0.4g immobilized lipase, at substrates molar ratio 1:10 (TMP to acid), temperature 40 degrees C and water content controlled under 0.8% (w/w), the total conversion of fatty acid with TMP reached up to 96% and the formation of trisubstituted TMP esters reached 93%. Water content controlled during esterification process was found to be critical for high yield of direct esterification. Crown Copyright (C) 2011 Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcatb.2011.07.017

文献信息

• 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。
• PROCESS FOR PREPARING BIODEGRADABLE LUBRICANT BASE OILS
  申请人：Council of Scientific and Industrial Research

  公开号：US20150148554A1

  公开（公告）日：2015-05-28

  The invention discloses an improved process for preparing fatty acid esters with 100 mol % selectivity suitable as biodegradable lubricant base oils, comprising contacting a fatty compound with an alcohol in presence of a solid, phosphonate catalyst having molecular formula: M(X)2-nYn.mH2O where X refers to phenyl phosphonate, Y refers to HPO42− or HPO32−, M refers to a metal or metalloid ion preferably taken from the group consisting of Zr, Zn, Cd, Al, Sn, La and Ce, the value of n varies from 0.2 to 1.8 and the value of m varies from 0 to 5, wherein the fatty compound is a fatty acid or fatty acid methyl or ethyl ester or vegetable oil or animal fat or their mixture thereof and alcohol is a monohydric alcohol with 6 to 22 carbon atoms or a polyol with at least two hydroxyl groups.

  该发明揭示了一种改进的制备脂肪酸酯的工艺，其具有100%选择性，适用作为可生物降解的润滑油基础油，包括在固体、膦酸酯催化剂的存在下，将脂肪化合物与醇接触，所述膦酸酯催化剂具有分子式：M(X)2-nYn.mH2O，其中X代表苯基膦酸酯，Y代表HPO42-或HPO32-，M代表金属或金属元素离子，优选取自Zr、Zn、Cd、Al、Sn、La和Ce组成的金属或金属元素离子，n的值在0.2到1.8之间变化，m的值在0到5之间变化，其中脂肪化合物是脂肪酸或脂肪酸甲基或乙基酯或植物油或动物脂肪或它们的混合物，醇是具有6到22个碳原子的一元醇或至少具有两个羟基的多元醇。
• [EN] THE USE OF CARBOXYLIC ACID ESTERS AS LUBRICANTS<br/>[FR] UTILISATION D'ESTERS D'ACIDE CARBOXYLIQUE EN TANT QUE LUBRIFIANTS
  申请人：BASF SE

  公开号：WO2014005932A1

  公开（公告）日：2014-01-09

  The presently claimed invention is directed to the use of carboxylic acid esters which are obtained by reacting aliphatic dicarboxylic acids and a mixture of structurally different monoalcohols having 10 carbon atoms as lubricants and a process for their preparation.

  目前所宣称的发明是针对使用由脂肪族二羧酸和具有10个碳原子的结构不同的单醇混合物反应得到的羧酸酯作为润滑剂的，以及它们的制备方法。
• COMPOUNDS USEFUL AS MODULATORS OF TRPM8
  申请人：Senomyx, Inc.

  公开号：US20170096418A1

  公开（公告）日：2017-04-06

  The present disclosure relates to compounds which are useful as cooling sensation compounds.

  本公开涉及作为冷感化合物有用的化合物。
• [EN] SULFUR-CONTAINING SILANE, FILLED ELASTOMERIC COMPOSITIONS CONTAINING SAME AND ARTICLES MADE THEREFROM<br/>[FR] SILANE CONTENANT DU SOUFRE, COMPOSITIONS ÉLASTOMÈRE CHARGÉES CONTENANT CET ÉLÉMENT ET ARTICLES FAITS DE CET ÉLÉMENT
  申请人：MOMENTIVE PERFORMANCE MAT INC

  公开号：WO2010014238A1

  公开（公告）日：2010-02-04

  Sulfur-containing silane, and/or the partially to substantially complete hydrolyzate(s) of sulfur-containing silane, of general Formula (1): [Y1SG1SiZθ]m[Y2SG2SiZθZβ]n[Y3SG3SiZβ3]o[Y4SG4SiZβ2X]p[Y5SG5SiZβX2]q[X]r (1) are provided wherein the variables have the values as indicated in the claims.

  提供了含硫硅烷和/或硫含硅烷的部分到完全的水解物，其通式为（1）：[Y1SG1SiZθ]m[Y2SG2SiZθZβ]n[Y3SG3SiZβ3]o[Y4SG4SiZβ2X]p[Y5SG5SiZβX2]q[X]r，其中变量的值如权利要求所示。