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三异辛酸甘油酯 | 7360-38-5

中文名称
三异辛酸甘油酯
中文别名
甘油三(2-乙基乙酸盐);甘油三(乙基己酸)酯;2-乙基己酸三甘油酯
英文名称
1,2,3-propane
英文别名
glyceryl tri(2-ethylhexanoate);triglyceride;triethylhexanoin;glycerol tri(2-ethylhexanoate);2-ethyl-hexanoic acid propane-1,2,3-triyl ester;propane-1,2,3-triyl 2-ethylhexanoate;tris-(2-ethyl-hexanoyloxy)-propane;2-Ethylcapronsaeuretriglycerid;estol 3609;tri 2-ethylhexanoate glycerin;2,3-bis(2-ethylhexanoyloxy)propyl 2-ethylhexanoate
三异辛酸甘油酯化学式
CAS
7360-38-5
化学式
C27H50O6
mdl
——
分子量
470.69
InChiKey
DGSZGZSCHSQXFV-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    498.1±12.0 °C(Predicted)
  • 密度:
    0.968
  • LogP:
    8.98
  • 物理描述:
    Liquid
  • 稳定性/保质期:

    如果按照规格使用和储存,则不会分解。

计算性质

  • 辛醇/水分配系数(LogP):
    8.5
  • 重原子数:
    33
  • 可旋转键数:
    23
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.89
  • 拓扑面积:
    78.9
  • 氢给体数:
    0
  • 氢受体数:
    6

安全信息

  • 海关编码:
    2915900090

制备方法与用途

概述

三异辛酸甘油酯是一种酯类有机物,其化学结构与天然油脂基本一致,与皮肤具有良好的亲和性。另一方面,该化合物分子的碳链比天然油脂短,使其成为一种轻质油脂。使用时感觉不油腻且涂展性好,有效地克服了天然油脂过于油腻的问题,是一种理想的化妆品用油脂。

制备

在反应器中加入2-乙基己酸甘油环己烷(或二甲苯)、对甲苯磺酸,并安装搅拌器、温度计、回流冷凝管和分器。加热使固体溶解后保持匀速搅拌,当温度达到约90℃时开始回流,持续1~5小时直至不再有生成,反应结束。随后冷却至室温,加入适量的NaHCO₃饱和溶液(或碳酸溶液),静置分离有机层并用清洗。最后通过减压蒸馏收集相应馏分,即可获得三异辛酸甘油酯

用途

主要用于生产化妆品。

反应信息

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文献信息

  • Fragrance composition
    申请人:TAKASAGO INTERNATIONAL CORPORATION
    公开号:US20030216283A1
    公开(公告)日:2003-11-20
    A fragrance composition having high fragrance properties such as fragrance diffusivity and long-lasting property obtained without changing the fragrance note of the fragrance composition which is useful in various fragrance providing products such as cosmetics, toiletry products, bath compositions and pharmaceuticals having satisfactory fragrance properties such as fragrance diffusivity and long-lasting property. The fragrance composition contains 0.1 to 90 % by weight of a glyceryl ether derivative represented by the following general formula (I), such as 2 -ethylhexyloxypropanediol as a fixative or fragrance note-improving agent. The fragrance providing product contains 0.01 to 50 % by weight of the fragrance composition in the final product composition. General formula (I) is: 1 wherein R 1 represents an aliphatic hydrocarbon group having 4 to 12 carbon atoms which may have a branched chain or an aromatic hydrocarbon group, which may have a substituent.
    具有高香气性能的香氛组合物,如香气扩散性和持久性,可在不改变香气组合物的香调的情况下获得,适用于各种具有满意的香气性能,如香气扩散性和持久性的化妆品、洗涤用品、沐浴组合物和药品。香气组合物包含按重量百分比为0.1到90%的由以下一般式(I)代表的甘油醚衍生物,如2-乙基己氧基丙二醇作为固定剂或香气调节剂。提供香气的产品在最终产品组合物中含有按重量百分比为0.01到50%的香气组合物。一般式(I)为:其中R1表示具有4到12个碳原子的脂肪烃基,可能具有支链或芳香烃基,可能具有取代基。
  • PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT OR AGENT FOR PREVENTING/AMELIORATING ROUGH SKIN AND EXTERNAL COMPOSITION FOR SKIN
    申请人:Shiseido Company, Limited
    公开号:EP1884230A1
    公开(公告)日:2008-02-06
    The invention provides a parakeratosis inhibitor, pore-shrinking agent, or rough skin preventing/amaliorating agent that has a function such as parakeratosis inhibition, pore shrinkage, or rough skin -inhibition/abatement, poses no safety problems such as sensory irritation, and is very safe, and to further provide an external composition for skin to which a compound having the above-mentioned function has been added. The parakeratosis inhibitor agent, pore-shrinking agent, or rough skin preventing/amaliorating agent comprises one, two, or more compounds selected from the group consisting of α-amino acid derivatives and salts thereof. The external composition for skin comprises the one, two, or more compounds selected from the group consisting of α-amino acid derivatives and salts thereof as the above-mentioned parakeratosis inhibitor, pore-shrinking agent, or rough skin preventing/amaliorating agent.
    该发明提供了一种具有角化不全抑制、收缩毛孔或防止/改善粗糙皮肤功能的抑制剂、收缩毛孔剂或防止/改善粗糙皮肤剂,不会引起感觉刺激等安全问题,非常安全,并进一步提供了一种外用皮肤组合物,其中添加了具有上述功能的化合物。角化不全抑制剂、收缩毛孔剂或防止/改善粗糙皮肤剂包括从α-氨基酸生物和其盐组成的群中选择的一种、两种或更多化合物。外用皮肤组合物包括从α-氨基酸生物和其盐组成的群中选择的一种、两种或更多化合物,作为上述角化不全抑制剂、收缩毛孔剂或防止/改善粗糙皮肤剂。
  • Cation-modified galactomannan polysaccharide and cosmetic composition containing the same
    申请人:Takeda Hiromitsu
    公开号:US20060275235A1
    公开(公告)日:2006-12-07
    The present invention provides a cation-modified galactomannan polysaccharide which gives excellent conditioning effects and gives good feeling and flexibility when it is used in a hair treatment composition, and improves feeling of use by conditioning effects and emulsification conditions when it is used in a skin cosmetic composition such as body cleansing agent. Concretely, the present invention provides a cation-modified galactomannan polysaccharide obtained by substituting some of hydroxyl groups contained in an cation-modified galactomannan polysaccharide which is nonionic polysaccharide and constitutes mannose as a main chain and galactose as a side chain and the composition ratio of mannose and galactose is 1:1 and obtained from albumen portion of a seed of fenugreek ( Trigonella foenum - graecum ) which is a leguminus plant, with a specific quaternary nitrogen-containing group, and a cosmetic composition containing the cation-modified cation-modified galactomannan.
    本发明提供了一种阳离子修饰的半乳糖聚糖多糖,当用于头发护理组合物时,能够提供优异的调理效果,并在使用时给人良好的感觉和柔软度;当用于皮肤化妆品组合物,例如身体清洁剂时,能够通过调理效果和乳化条件来提高使用感受。具体而言,本发明提供了一种阳离子修饰的半乳糖聚糖多糖,其通过用具有特定季氮含量的阳离子修饰代替非离子聚糖中含有的一些羟基,该聚糖以甘露糖为主链,以半乳糖为侧链,甘露糖和半乳糖的组成比为1:1,该聚糖来源于胡芦巴(Trigonella foenum-graecum)的种子蛋白质部分。同时,本发明还提供了一种含有该阳离子修饰的半乳糖聚糖多糖的化妆品组合物。
  • SKIN-WHITENING COSMETIC
    申请人:Pola Chemical Industries Inc.
    公开号:EP1987811A1
    公开(公告)日:2008-11-05
    Disclosed are: a novel skin-whitening agent; and a skin-whitening cosmetic or quasi-drug which is highly effective for prevention/amelioration of melanopathy and is prepared using the skin-whitening agent. The cosmetic contains a compound represented by the general formula (I) and /or a salt thereof as an active ingredient. In the general formula (I), R1 and R2 independently represent a secondary or tertiary alkyl group having 3 to 7 carbon atoms; and R3 represents a hydrogen atom, an alkyl group having 1 to 4 carbon atoms or an alkoxy group having 1 to 4 carbon atoms.
    本发明涉及一种新型的美白剂,以及一种高效用于预防/改善黑色素病的美白化妆品或准药品,其使用了该美白剂进行制备。该化妆品含有一种由通式(I)表示的化合物和/或其盐作为活性成分。在通式(I)中,R1和R2独立地表示具有3到7个碳原子的二级或三级烷基;而R3表示氢原子、具有1到4个碳原子的烷基或具有1到4个碳原子的烷氧基。
  • Cosmetics
    申请人:Horino Masaakira
    公开号:US20050196363A1
    公开(公告)日:2005-09-08
    A surface of particles of a silicone resin is treated with a low-molecular organosilicon derivative, with or without a water-soluble cationic polymer to improve the hydrophilicity of the silicone resin. The thus-treated powder is quite excellent in dispersibility (readily dispersible) and in dispersion stability in an aqueous dispersion medium. The use of the surface-treated powder provides a dispersion for cosmetic, excellent in dispersibility and dispersion stability and the like. The use of the surface-treated powder, or the use of the dispersion provides further a cosmetic excellent in dispersibility and dispersion stability, and further excellent in ease of re-dispersion and dispersion stability with lapse of time when selecting aqueous cosmetic as an agent form, and also excellent in smooth feeling in comparison with ordinary products.
    一种树脂颗粒表面处理方法,使用低分子有机生物进行处理,可选择加入溶性阳离子聚合物以提高树脂的亲性。经过处理的粉末具有优异的分散性和在性分散介质中的分散稳定性。使用经过表面处理的粉末能够提供一种化妆品分散体,具有优异的分散性和分散稳定性等特点。使用经过表面处理的粉末或分散体还能够提供一种化妆品,当选择性化妆品作为剂型时,具有优异的分散性和分散稳定性,随着时间的推移,其重新分散和分散稳定性也更加优异,与普通产品相比,还具有良好的光滑感。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
hnmr
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cnmr
ir
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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