十六烷 2-乙酸乙酯 | 59130-69-7

• 物质功能分类: 生物化工 - 生化试剂
• 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: 十六烷 2-乙酸乙酯
• 中文别名: 辛酸硬酯酰；鲸蜡醇乙基己酸酯；十六烷2-乙酸乙酯
• 英文名称: hexadecyl 2-ethylhexanoate
• 英文别名: cetyl ethylhexanoate
• CAS: 59130-69-7
• 化学式: C₂₄H₄₈O₂
• 分子量: 368.644
• InChiKey: XJNUECKWDBNFJV-UHFFFAOYSA-N

物化性质

• 熔点：
  1065 °C
• 沸点：
  398.93°C (rough estimate)
• 密度：
  0.8789 (rough estimate)
• LogP：
  10.819 (est)
• 物理描述：
  Liquid
• 稳定性/保质期：
  在常温常压下保持稳定，应避免接触水分。

计算性质

• 辛醇/水分配系数(LogP)：
  10.7
• 重原子数：
  26
• 可旋转键数：
  21
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 储存条件：
  在密封的贮藏器中，应将其置于阴凉、干燥处通风保存。

制备方法与用途

概述

鲸蜡醇乙基己酸酯又叫异辛酸十六酯，俗称为海鸟羽毛油，是一种高效防水、性能优异的润肤剂，几乎能与所有化妆品用油脂互溶；且具有良好的透气性、铺展性、分散性和滋润性等优点。

应用

使用后能赋予肌肤滋润柔软、不油腻的愉悦肤感，这些特性符合护肤品清爽、柔软、滋润、保湿和质感好的要求。可作为基础油脂用于润肤类产品，如保湿霜、防晒霜等；亦可作为口红的色料分散剂、唇膏亮唇剂及调理护发剂，特别适用于需要良好保湿性、滋润性的高端护肤、护发类产品中。

制备方法

取200g异辛酸、100g十六醇、0.3g硫酸和0.2g亚硫酸，加入三口瓶中，连接冷凝管，并进行油浴加热。料温升至120℃后，调节真空度为-0.010Mpa抽真空，保温反应1小时；接着调节温度为160℃，在真空度为-0.01Mpa时脱酸后，降温至50℃，加入氢氧化钠中和，并使其用量为异辛酸和十六醇总重量的0.05～2％。然后调节温度为10℃，分别加入300g和50g水洗两次；最后调节温度为60℃，真空度为-0.01Mpa进行真空脱水，即可得到鲸蜡醇乙基己酸酯产品。

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  2-乙基-己酸稀土盐	2-Ethylhexanoic acid	149-57-5	C8H16O2	144.214

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  2-乙基-己酸稀土盐	2-Ethylhexanoic acid	149-57-5	C8H16O2	144.214

反应信息

• 作为反应物：
  描述：

  十六烷 2-乙酸乙酯 在 水 作用下， 以 正己烷 为溶剂， 生成 2-乙基-己酸稀土盐 、 1-十六烷醇
  参考文献：
  名称：

  Novozym®435优化酶促合成2-乙基己酸十六烷基酯

  摘要：

  AbstractWaxes are esters obtained from long‐chain fatty acids and long‐chain alcohols which are biodegradable, biocompatible and nontoxic. Seafowl feather oil is a natural wax ester that exists on seafowl feathers. Cetyl 2‐ethylhexanoate is the major ingredient of seafowl feather oil. Cetyl 2‐ethylhexanoate is widely used in cosmetics as a base oil because of its lubricity, moisture retention and non‐toxic properties. An optimal production of cetyl 2‐ethylhexanoate by direct esterification of cetyl alcohol with 2‐ethylhexanoic acid was developed using an immobilized lipase (Novozym® 435) as a catalyst in n‐hexane. Response surface methodology (RSM) and 5‐level‐4‐factor central composite rotatable design (CCRD) were employed to evaluate the effects of reaction time, reaction temperature, substrate molar ratio, and enzyme amount on the yield of cetyl 2‐ethylhexanoate. The results show that reaction time, reaction temperature, substrate molar ratio, and enzyme amount have significant effects on the yield of the esterification reaction. On the basis of ridge‐max analysis, the optimum conditions were as follows: a reaction time of 2.65 days, a reaction temperature of 56.18 °C, a substrate molar ratio of 2.55:1, and an enzyme amount of 251.39%. The predicted and experimental values of molar conversion were 91.95 and 89.75 ± 1.06%, respectively.

  DOI：

  10.1007/s11746-011-1868-y
• 作为产物：
  描述：

  2-乙基-己酸稀土盐 、 1-十六烷醇 以 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 以98%的产率得到十六烷 2-乙酸乙酯
  参考文献：
  名称：

  “研究一些基于 2-乙基己酸的酯作为合成润滑剂的效率”

  摘要：

  DOI：

  10.21608/ejchem.2021.83605.4103

文献信息

• DERIVATIVE OF NOVEL POLYHYDROXY AROMATIC COMPOUND AND USE THEREOF
  申请人：RNS CO.,LTD.

  公开号：US20150283051A1

  公开（公告）日：2015-10-08

  Provided is a skin whitening composition with excellent whitening effects, specifically, a derivative or a polyhydroxy cyclic compound represented by Formula I or a pharmacologically acceptable salt thereof, comprising; wherein is derived from an aromatic cyclic compound, C n , C n+1 and C n+2 are three neighboring carbon atoms present in the aromatic cyclic compound, wherein n is a positive integer, R 1 and R 2 are each a saturated or unsaturated straight or branched alkyl or acyl group having 3 to 12 carbon atoms, and R 3 , R 4 , R 5 and R 6 are each independently at least one substituent selected from hydrogen, alkyl, alkoxy, acyloxy, acyloxymethyl, oxo, hydroxy, vinyl, nitrile, carboxaldehyde, carbonitrile and aldehyde.

  提供一个具有优异美白效果的皮肤美白组合物，具体为公式I所表示的衍生物或多元醇环化合物或其药理上可接受的盐，其中 所述的芳香族环化合物，C n ，C n+1 和C n+2 是存在于芳香族环化合物中的三个相邻的碳原子，其中n是正整数，R 1 和R 2 分别是具有3至12个碳原子的饱和或不饱和直链或支链烷基或酰基，而R 3 ，R 4 ，R 5 和R 6 各自独立地选自氢、烷基、烷氧基、酰氧基、酰氧甲基、氧代、羟基、乙烯基、腈、羧醛、碳腈和醛中至少一个取代基。
• MELANIN PRODUCTION INHIBITOR
  申请人：Yokoyama Kouji

  公开号：US20110243865A1

  公开（公告）日：2011-10-06

  Disclosed is a melanin production inhibitor which has an excellent inhibitory activity on the production of melanin and is highly safe. The melanin production inhibitor comprises a compound represented by general formula (1) (excluding clotrimazole), and/or a pharmacologically acceptable salt thereof. In the formula, A1, A2 and A3 are independently selected from a hydrogen atom, an aryl group which may have a substituent, and an aromatic heterocyclic group which may have a substituent, wherein at least one of A1, A2 and A3 is selected from the aryl group and the aromatic heterocyclic group, the total number of carbon atoms contained in A1, A2 and A3 is 6 to 50 and, when at least two of A1, A2 and A3 represent the aryl groups or the aromatic heterocyclic groups, the adjacent two aryl or aromatic heterocyclic groups may be bound to each other via an alkyl chain or an alkenyl chain to form a ring; m represents an integer of 0 to 2; X represents a hetero atom, a hydrogen atom, or a carbon atom; R1 and R2 are independently selected from a hydrogen atom and an oxo group, wherein when one of R1 and R2 is an oxo group, the other is not present; and R3 is selected from a hydrogen atom, and a C 1-8 hydrocarbon group in which one or some of hydrogen atoms or carbon atoms may be substituted by a hetero atom or hetero atoms, wherein the number of R3's present in the compound corresponds to the number of X's and, when two or more R3's are present, the R3's are independently present and the adjacent two R3's may be bound to each other to form, together with X, a ring, and the terminal of R3 may be bound to a carbon atom to which A1, A2 and A3 are bound, thereby forming a ring.

  披露了一种黑色素生产抑制剂，它对黑色素的生产具有出色的抑制活性且高度安全。该黑色素生产抑制剂包括由通用公式（1）表示的化合物（不包括克霉唑）和/或其药理上可接受的盐。在公式中，A1、A2和A3独立地选自氢原子、可能带有取代基的芳基团和可能带有取代基的芳香杂环团，其中至少A1、A2和A3之一选自芳基团和芳香杂环团，A1、A2和A3中包含的碳原子总数为6至50，并且当至少两个A1、A2和A3表示芳基团或芳香杂环团时，相邻的两个芳基或芳香杂环团可以通过烷基链或烯基链相互连接形成环；m代表0至2的整数；X代表异原子、氢原子或碳原子；R1和R2独立地选自氢原子和氧代基，其中当R1和R2之一是氧代基时，另一个不出现；R3选自氢原子和C 1-8 碳氢化合物组，其中一些或所有的氢原子或碳原子可能被异原子或异原子取代，其中化合物中存在的R3的数量对应于X的数量，并且当存在两个或更多R3时，R3独立地存在，并且相邻的两个R3可以相互连接以与X一起形成环，并且R3的末端可以与A1、A2和A3连接的碳原子结合，从而形成环。
• GLYCERYL ASCORBIC ACID ACYLATED DERIVATIVE OR ITS SALT, PRODUCTION METHOD THEREOF, AND COSMETICS
  申请人：YOSHIOKA Masato

  公开号：US20130204017A1

  公开（公告）日：2013-08-08

  A glyceryl ascorbic acid acylated derivative or its salt, which has an ascorbic acid structure where 2- and/or 3-positions of the structure are substituted with glyceryl groups and some of the hydroxyl groups in the structure and/or in the glyceryl group are acylated, a production method of the glyceryl ascorbic acid acylated derivative and a cosmetic containing the glyceryl ascorbic acid acylated derivative or its salt are provided.

  提供一个甘油抗坏血酸酰化衍生物或其盐，其具有抗坏血酸结构，其中2-和/或3-位被甘油基团取代，并且结构中的一些羟基和/或甘油基团被酰化，提供甘油抗坏血酸酰化衍生物的生产方法，以及包含甘油抗坏血酸酰化衍生物或其盐的化妆品。
• [EN] NOVEL ANTIMICROBIAL PEPTIDES AND THEIR APPLICATION<br/>[FR] NOUVEAUX PEPTIDES ANTIMICROBIENS ET LEUR APPLICATION
  申请人：INFINITEC ACTIVOS S L

  公开号：WO2015135896A1

  公开（公告）日：2015-09-17

  The present invention relates to a compound of formula (I) and to compositions comprising said compound, as well as the use of said compound and/or said compositions to prevent fungal and/or bacterial growth.

  本发明涉及式(I)的化合物，以及包含该化合物的组合物，以及使用该化合物和/或所述组合物来防止真菌和/或细菌生长。
• [EN] UV ABSORBING COMPOUNDS, COMPOSITIONS COMPRISING SAME AND USES THEREOF<br/>[FR] COMPOSÉS ABSORBANT LES UV, COMPOSITIONS LES CONTENANT ET LEURS UTILISATIONS
  申请人：CORAL SUNSCREEN PTY LTD

  公开号：WO2015006803A1

  公开（公告）日：2015-01-22

  There is provided a range of novel compounds which have been demonstrated to have useful UV absorbing properties. These compounds will find use in a range of applications such as active components in sunscreen formulations, paints, plastics, fabrics, glass and UV protective coatings.

  提供了一系列新化合物，已经证明具有有用的吸收紫外线性能。这些化合物将在各种应用中发挥作用，如防晒霜配方中的活性成分、油漆、塑料、织物、玻璃和紫外线防护涂料。