十四酸十八烷酯 | 3234-81-9

• 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: 十四酸十八烷酯
• 中文别名: 肉豆蔻短硬脂醇酯十四烷酸十八烷基酯；十四酸十八酯
• 英文名称: Octadecyltetradecanoat
• 英文别名: stearyl myristate；octadecyl myristate；Tetradecanoic acid, octadecyl ester；octadecyl tetradecanoate
• CAS: 3234-81-9
• 化学式: C₃₂H₆₄O₂
• 分子量: 480.859
• InChiKey: IEDOGKKOPNRRKW-UHFFFAOYSA-N

物化性质

• 保留指数：
  3348.04
• 稳定性/保质期：
  存在于烟叶和烟气中。

计算性质

• 辛醇/水分配系数(LogP)：
  15.2
• 重原子数：
  34
• 可旋转键数：
  30
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.97
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2915900090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温

反应信息

• 作为产物：
  描述：

  硬脂醇 、 肉豆蔻酸 在 Ph3PSO3 作用下， 以 neat (no solvent) 为溶剂， 反应 2.0h， 以99%的产率得到十四酸十八烷酯
  参考文献：
  名称：

  Efficient greener methodology for the preparation of bio-based phase change materials from lipids

  摘要：

  In the present work, a new, highly efficient and simple strategy has been developed for the synthesis of long chain esters from fatty acids and fatty alcohols as phase change materials. Equivalent amounts of the selected starting compounds were taken to the esterification reaction at 110 degrees C in a solventless medium. In order to catalyze the esterification reaction, non-hygroscopic triphenylphosphine-sulfur trioxide adduct was used (0.83 mmol%) which is an easily accessible compound. The relevant reaction was completed in a very short time (2 h) and under optimized esterification conditions, excellent conversion were reached. The targeted mono ester compounds (15 examples) were obtained in good to excellent yields even after a simple crystallization step (72-99%). Additionally, a catalyst reuse investigation and study covering the scale-up production of stearyl stearate was also carried out. The triphenylphosphine-sulfur trioxide catalyzed solvent free process can compete with existing processes and proved to be a cheaper, practical and environmentally-friendly method for the esterification of fatty acids and alcohols.

  DOI：

  10.1080/10426507.2020.1845681

文献信息

• Cosmetic compositions
  申请人：Symrise AG

  公开号：EP2745878A1

  公开（公告）日：2014-06-25

  Suggested is a cosmetic compositions comprising (a) a crosspolymer obtained from copolymerisation of at least two different polyols and at least one dicarboxylic acid and (b) at least one fragrance.

  建议的是一种化妆品组合物，包括 (a) 由至少两种不同的多元醇和至少一种二羧酸共聚得到的交联聚合物，以及 (b) 至少一种香料。
• [EN] ESTERS AND ETHERS OF 2,2,4,4-TETRAMETHYLCYCLOBUTANE-1,3-DIOL FOR USE AS AROMA CHEMICALS<br/>[FR] ESTERS ET ÉTHERS DE 2,2,4,4-TÉTRAMÉTHYLCYCLOBUTANE -1,3-DIOL DESTINÉS À ÊTRE UTILISÉS EN TANT QUE PRODUITS CHIMIQUES AROMATIQUES
  申请人：BASF SE

  公开号：WO2019048544A1

  公开（公告）日：2019-03-14

  The present invention relates to the use of a compound of the general formula (I) wherein R1 is C1-C4-alkyl or -(C=0)-R3, R2 is hydrogen, C1-C4-alkyl or -(C=0)-R4, and R3 and R4, independently of one another, are selected from the group consisting of hydrogen and C1-C4-alkyl, a stereoisomer thereof or a mixture of stereoisomers thereof, as an aroma chemical, to aroma chemical compositions comprising at least one compound of the general formula (I), a stereoisomer thereof or a mixture of stereoisomers thereof, and to a method for preparing a fragranced ready-to-use composition, which comprises incorporating at least one compound of the general formula (I), a stereoisomer thereof or a mixture of stereoisomers thereof, into a ready- to-use composition. The present invention further relates to specific ethers and specific esters of the compounds of the general formula (I) and a method for their preparation.

  本发明涉及使用一般式(I)的化合物，其中R1是C1-C4-烷基或-(C=0)-R3，R2是氢、C1-C4-烷基或-(C=0)-R4，R3和R4彼此独立地选自氢和C1-C4-烷基的群，其立体异构体或其立体异构体混合物，作为香料化学品，以及包含至少一种一般式(I)的化合物、其立体异构体或其立体异构体混合物的香料化学品组合物，以及制备香味即用组合物的方法，该方法包括将至少一种一般式(I)的化合物、其立体异构体或其立体异构体混合物纳入即用组合物中。本发明还涉及一般式(I)化合物的特定醚和特定酯以及它们的制备方法。
• SKIN EXTERNAL PREPARATIONS AND COSMETICS
  申请人：Aoki Hirobumi

  公开号：US20100280111A1

  公开（公告）日：2010-11-04

  An object of the present invention is to provide skin external preparations and cosmetics which contain a branched acyl carnitine and have excellent formulation stability. A skin external preparation of the present invention includes a carnitine derivative represented by the following Formula (1) and/or a carnitine derivative salt represented by the following Formula (2), and an amphoteric surfactant. In Formula (1), R 1 and R 2 are each independently a C1-18 optionally branched, saturated or unsaturated aliphatic hydrocarbon group. In Formula (2), R 1 and R 2 are the same as in Formula (1), X − is a specific anion and Y + is a specific cation.

  本发明的一个目的是提供含有支链酰基肉碱并具有优异配方稳定性的皮肤外用制剂和化妆品。本发明的皮肤外用制剂包括以下式（1）所表示的肉碱衍生物和/或以下式（2）所表示的肉碱衍生物盐，以及一种两性表面活性剂。在式（1）中，R1和R2分别独立地是C1-18的可选支链、饱和或不饱和脂肪烃基。在式（2）中，R1和R2与式（1）中相同，X−是特定的阴离子，Y+是特定的阳离子。
• [EN] SUBSTITUTED 4-METHYLENE-TETRAHYDROPYRANS, 4-METHYL-DIHYDROPYRANS AND 4-METHYL-TETRAHYDROPYRANS AND USE THEREOF AS AROMA CHEMICALS<br/>[FR] 4-MÉTHYLÈNE-TÉTRAHYDROPYRANES, 4-MÉTHYL-DIHYDROPYRANES ET 4-MÉTHYL-TÉTRAHYDROPYRANES SUBSTITUÉS ET UTILISATION CORRESPONDANTE EN TANT QUE PRODUITS CHIMIQUES AROMATIQUES
  申请人：BASF SE

  公开号：WO2021122558A1

  公开（公告）日：2021-06-24

  The present invention relates to substituted 4-methylene-tetrahydropyrans, 4-methyl- dihydropyrans and 4-methyl-tetrahydropyrans of formula (I), where the variables are as defined in the claims and description, to a stereoisomer thereof, to a mixture of stereoisomers thereof, to a mixture of different di- and tetrahydropyrans (I) and to a mixture containing at least one di- or tetrahydropyran (I) and at least one cyclic acetal which is a 1,3-dioxan carrying in 2-position an isobutanol-2-yl- (derived) substituent and in 4,4- or 5,5-position two methyl substituents. The invention also relates to the use of such compounds as an aroma chemical and/or for modifying and/or enhancing the aroma of a composition, to compositions comprising such compounds, to methods for preparing such compounds and to a product obtainable by these methods.

  本发明涉及式(I)的取代4-亚甲基-四氢吡喃、4-甲基-二氢吡喃和4-甲基-四氢吡喃，其中变量如权利要求和描述中所定义的那样，以及其立体异构体、其立体异构体的混合物、不同二氢吡喃和四氢吡喃(I)的混合物，以及至少含有一种二氢吡喃(I)和至少含有一种环状缩醛的混合物，该环状缩醛是一种1,3-二氧杂环戊二烷，其2-位置携带异丁醇-2-基（衍生）取代基，在4,4-或5,5-位置携带两个甲基取代基。该发明还涉及将这些化合物用作香气化学品和/或用于修改和/或增强组合物的香气，包括这些化合物的组合物，制备这些化合物的方法以及通过这些方法得到的产品。
• Cosmetic Compositions Containing Esters of 2-ethylbutanol
  申请人：Althaus Stefanie

  公开号：US20100292328A1

  公开（公告）日：2010-11-18

  The invention relates to the use of esters of 2-ethylbutanol with C 4-36 carboxylic acids or C 4-36 dicarboxylic acids in cosmetics and/or pharmaceutical preparations. The compounds are characterised by a particularly light feeling.

  该发明涉及在化妆品和/或药物制剂中使用2-乙基丁醇酯与C4-36羧酸或C4-36二羧酸的酯类化合物。这些化合物具有特别轻盈的感觉。