10-methylhexadecanoic acid | 17001-26-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 10-methylhexadecanoic acid
• 英文别名: 10-methylpalmitic acid
• CAS: 17001-26-2
• 化学式: C₁₇H₃₄O₂
• 分子量: 270.456
• InChiKey: ITFOCFQAVPXNEV-UHFFFAOYSA-N

物化性质

• 熔点：
  24-24.5 °C
• 沸点：
  189 °C(Press: 1.5 Torr)
• 密度：
  0.889±0.06 g/cm3(Predicted)
• LogP：
  7.500 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  19
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  10-methylhexadecanoic acid 在 chromium(VI) oxide 、 氯化亚砜 、 硫酸 、 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 氯仿 、 丙酮 为溶剂， 反应 43.25h， 生成 10-methylhexadecanoic acid (30-{[(3E)-2-hydroxy-1-hydroxymethylheptadec-3-en-1-yl]amino}-30-oxo-triacontan-1-yl) ester
  参考文献：
  名称：

  长链角质层脂质 [EOS] 和 [EOP] 的特定氘代衍生物的合成和使用中子散射的表征

  摘要：

  描述了长链神经酰胺 [EOS] 和 [EOP] 的特定氘代衍生物的合成。与天然化合物的结构差异在于含有亚油酸的 2 个双键被在 10 位带有甲基支链的棕榈酸取代。在支链和末端甲基中都引入了特定的氘化，这是通过羧基的 3 步连续氘化的常用方法实现的。这些改性脂肪酸分别。相应的神经酰胺 [EOS] 和 [EOP] 用于中子散射研究。这些研究的第一个结果在这份手稿中呈现，表明可以在角质层脂质模型膜中检测到氘化化合物。

  DOI：

  10.1002/jlcr.3504
• 作为产物：
  描述：

  辛二酸单甲酯 在 氢氧化钾 、 氯化亚砜 、 一水合肼 作用下， 以 甲醇 、 乙醇 、 水 、 二乙二醇 为溶剂， 反应 17.0h， 生成 10-methylhexadecanoic acid
  参考文献：
  名称：

  Dobner; Elsner; Nuhn, Pharmazie, 1989, vol. 44, # 11, p. 758 - 760

  摘要：

  DOI：

文献信息

• Characterisation of a new ceramide EOS species: synthesis and investigation of the thermotropic phase behaviour and influence on the bilayer architecture of stratum corneum lipid model membranes
  作者：Tanja Engelbrecht、Thomas Hauß、Kevin Süβ、Alexander Vogel、Matthew Roark、Scott E. Feller、Reinhard H. H. Neubert、Bodo Dobner

  DOI：10.1039/c1sm05134b

  日期：——

  The lipids of the stratum corneum, particularly the ceramides, are known to play a crucial role for the skin barrier properties. Thereby, the unique ω-acyl ceramide EOS is regarded to be a precondition for the formation of a protective envelope. We report on the chemical synthesis of a new ceramide EOS derivative constituting a saturated and branched ω-acyl chain instead of the naturally occurring ω-esterified linoleic acid moiety, therefore showing an improved stability against oxidative influences. In addition, the thermotropic phase behaviour of the new ceramide was studied using differential scanning calorimetry (DSC) and Fourier transform Raman spectroscopy. The results indicate a phase behaviour similar to the one known for the naturally occurring ceramide EOS. Chain packing behaviour as well as phase transition temperatures are found to be comparable for both ceramide species. Furthermore, the present study addresses the issue of characterising oriented quaternary stratum corneum lipid model membranes based on the new ceramide EOS derivative by means of neutron diffraction. The results indicate the formation of a stable bilayer architecture with membrane parameters comparable to the quaternary model systems containing naturally the occurring ceramide EOS species. Additional molecular dynamics simulations corroborated the findings received from neutron diffraction and the proposed lipid bilayer arrangement.

  众所周知，角质层的脂质，尤其是神经酰胺，对皮肤的屏障特性起着至关重要的作用。因此，独特的ω-酰基神经酰胺 EOS 被认为是形成保护膜的先决条件。我们报告了一种新的神经酰胺 EOS 衍生物的化学合成，这种衍生物由饱和支化的 ω-acyl 链代替了天然存在的 ω-esterified linoleic acid 分子，因此具有更好的抗氧化稳定性。此外，还利用差示扫描量热法（DSC）和傅立叶变换拉曼光谱对新型神经酰胺的热致相行为进行了研究。研究结果表明，这种物质的相行为与已知的天然神经酰胺 EOS 相似。研究发现，这两种神经酰胺的链堆积行为和相变温度具有可比性。此外，本研究还通过中子衍射法研究了基于新型神经酰胺 EOS 衍生物的定向季角质层脂质模型膜的特征。结果表明形成了稳定的双层结构，其膜参数与含有天然存在的神经酰胺 EOS 种类的四元模型系统相当。额外的分子动力学模拟证实了中子衍射的发现和所提出的脂质双分子层排列。
• LUBRICATING BASE OIL, LUBRICATING OIL COMPOSITION CONTAINING LUBRICATING BASE OIL, AND METHOD FOR PRODUCING LUBRICATING OIL COMPOSITION
  申请人：Kao Corporation

  公开号：EP3561025A1

  公开（公告）日：2019-10-30

  Provided is a lubricating base oil containing an ester compound, wherein the ester compound contains a mixture comprising a compound represented by general formula (1) (in formula (1), R1 and R2 independently represent a hydrogen atom, a methyl group, a benzoyloxy group, a naphthoyloxy group, or general formula (2), that is, -O-C(=O)-R5, R3 and R4 independently represent a benzoyloxy group, a naphthoyloxy group, or general formula (2), that is, -O-C(=O)-R5, and R5 represents a linear C5-21 alkyl group, a branched chain C9-21 alkyl group, or a C5-21 cycloalkyl group that may also be substituted with an alkyl chain). The mixture contains a compound in which at least one among R1 to R4 is general formula (2), that is, -O-C(=O)-R5, and the proportion, in the mixture, of a compound in which at least one among R1 to R4 is a benzoyloxy group or a naphthoyloxy group is 5-100 mole%. The lubricating base oil contains an ester compound having excellent heat resistance, lubricity, and hydrolysis resistance.

  提供了一种含有酯类化合物的润滑基础油，其中酯类化合物包含由通式（1）代表的化合物组成的混合物（在式（1）中，R1和R2独立地代表氢原子、甲基、苯甲酰氧基、萘甲酰氧基或通式（2），即-O-C(=O)-R5，R3和R4独立地代表苯甲酰氧基、萘甲酰氧基或通式（2），即-O-C(=O)-R5、即-O-C(＝O)-R5，R3 和 R4 独立地代表苯甲酰氧基、萘甲酰氧基或通式 (2)，即-O-C(＝O)-R5，R5 代表线性 C5-21 烷基、支链 C9-21 烷基或也可被烷基链取代的 C5-21 环烷基）。混合物中含有一种化合物，其中 R1 至 R4 中至少有一个是通式 (2)，即 -O-C(=O)-R5，而 R1 至 R4 中至少有一个是苯甲酰氧基或萘甲酰氧基的化合物在混合物中的比例为 5-100 摩尔%。润滑基础油中含有一种酯类化合物，具有优异的耐热性、润滑性和耐水解性。
• LUBRICANT BASE OIL AND LUBRICANT COMPOSITION INCLUDING SAID LUBRICANT BASE OIL
  申请人：Kao Corporation

  公开号：EP3556829A1

  公开（公告）日：2019-10-23

  This lubricant base oil includes a condensation ester of an alcohol (A) and a carboxylic acid (B), wherein the alcohol (A) contains a polyhydric alcohol represented by general formula (1) (in formula (1), R1-R4 independently represent a hydrogen atom, a methyl group, or a hydroxyl group, and at least two of R1-R4 each represents a hydroxyl group), and the carboxylic acid (B) contains a C4-C8 cycloalkane monocarboxylic acid. The lubricant base oil has excellent heat resistance and lubricating property.

  这种润滑油基础油包括醇（A）和羧酸（B）的缩合酯，其中醇（A）含有通式（1）表示的多元醇（在式（1）中，R1-R4 独立地代表氢原子、甲基或羟基，且至少两个 R1-R4 各代表一个羟基），而羧酸（B）含有 C4-C8 环烷单羧酸。 该润滑油基础油具有优异的耐热性和润滑性。
• METHOD OF PREPARING CONJUGATED DIENE-BASED POLYMER AND METHOD OF PREPARING GRAFT COPOLYMER COMPRISING SAME
  申请人：LG CHEM, LTD.

  公开号：EP3854822A1

  公开（公告）日：2021-07-28

  The present invention relates to a method for preparing a conjugated diene-based polymer, which includes a step of preparing a conjugated diene-based polymer by initiating and carrying out polymerization while continuously adding conjugated diene-based monomers to a reactor, and in which an emulsifier is dividedly added before the initiation of the polymerization and when a polymerization conversion rate of 31% to 80% is reached. More particularly, the present invention relates to: a method for preparing a conjugated diene-based polymer and a method for preparing a graft copolymer including the method for preparing a conjugated diene-based polymer, by which a total usage amount of an emulsifier can be reduced.

  本发明涉及一种制备共轭二烯基聚合物的方法，该方法包括通过在反应器中连续加入共轭二烯基单体的同时启动和进行聚合反应来制备共轭二烯基聚合物的步骤，其中在聚合反应开始前和聚合转化率达到31%至80%时，分次加入乳化剂。更具体地说，本发明涉及：一种制备共轭二烯基聚合物的方法和一种制备接枝共聚物的方法，包括制备共轭二烯基聚合物的方法，通过该方法可以减少乳化剂的总用量。
• GREASE BASE OIL AND GREASE COMPOSITION CONTAINING SAID GREASE BASE OIL
  申请人：Kao Corporation

  公开号：EP3926027A1

  公开（公告）日：2021-12-22

  A grease base oil, containing: condensation esters of alcohols (A) and carboxylic acids (B), wherein the alcohols (A) include a polyhydric alcohol represented by General Formula (1), the carboxylic acids (B) include a fatty acid having 5 or more and 9 or less carbon atoms (B-1), a branched fatty acid having 15 or more and 20 or less carbon atoms (B-2), a cycloalkane monocarboxylic acid having 4 or more and 8 or less carbon atoms (B-3), and an aromatic carboxylic acid (B-4), and the carboxylic acids (B) have a percentage of (B-1) above of 30 mol% or more and 50 mol% or less, a percentage of (B-2) above of 30 mol% or more and 50 mol% or less, a percentage of (B-3) above of 10 mol% or more and 30 mol% or less, and a percentage of (B-4) above of 1 mol% or more and 15 mol% or less. The grease base oil contains condensation esters having heat resistance and low temperature storageability.

  一种润滑脂基础油，含有醇（A）和羧酸（B）的缩合酯，其中醇（A）包括通式（1）代表的多元醇，羧酸（B）包括具有 5 个或更多和 9 个或更少碳原子的脂肪酸（B-1）、具有 15 个或更多和 20 个或更少碳原子的支链脂肪酸（B-2）、具有 4 个或更多和 8 个或更少碳原子的环烷烃单羧酸（B-3）、和芳香族羧酸 (B-4)，且羧酸 (B) 的 (B-1) 百分比大于等于 30 摩尔%且小于等于 50 摩尔%，(B-2) 百分比大于等于 30 摩尔%且小于等于 50 摩尔%，(B-3) 百分比大于等于 10 摩尔%且小于等于 30 摩尔%，(B-4) 百分比大于等于 1 摩尔%且小于等于 15 摩尔%。润滑脂基础油含有具有耐热性和低温储存性的缩合酯。