十二酸苯酯 | 4228-00-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 中文名称: 十二酸苯酯
• 中文别名: 月桂酸苯酯
• 英文名称: lauric acid phenyl ester
• 英文别名: Dodecansaeurephenylester；Phenyl laurate；phenyl dodecanoate
• CAS: 4228-00-6
• 化学式: C₁₈H₂₈O₂
• mdl: MFCD00041917
• 分子量: 276.419
• InChiKey: ZPORCTAUIXXZAI-UHFFFAOYSA-N

物化性质

• 熔点：
  24.5°C
• 沸点：
  379.32°C (rough estimate)
• 密度：
  0.9354

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  20
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.611
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2915900090
• 储存条件：
  室温且干燥环境下使用。

反应信息

• 作为反应物：
  描述：

  十二酸苯酯 在 LiTi(OPr-i)4 polyethylsiloxane 、 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 27.0h， 以50%的产率得到十二烷醇
  参考文献：
  名称：

  Reduction of Carbonyl Compounds with Polyethylsiloxane in the Presence of Titanium Compounds

  摘要：

  Reduction of carbonyl compounds with polyethylsiloxane in the presence of titanium alkoxides gives the corresponding alcohols in high yields.

  DOI：

  10.1023/b:rujo.0000044534.92992.fc
• 作为产物：
  描述：

  月桂酸 在 氯化亚砜 作用下， 生成 十二酸苯酯
  参考文献：
  名称：

  系列双子烷基酚聚氧乙烯非离子表面活性剂的合成及其临界胶束浓度

  摘要：

  成功合成了一系列双子正烷基酚聚氧乙烯表面活性剂（GAP），并通过NMR和FTIR光谱确定了它们的分子结构。使用相同的合成路线，使用工业壬基酚产品和多聚甲醛合成了双基壬基酚聚氧乙烯表面活性剂（GNP），其分子结构也由1表征H-NMR和FTIR光谱。确定了最佳反应条件。通过Wilhelmy平板法和稳态荧光探针法测定GAP的临界胶束浓度（CMC）值。实验结果表明，亲水性聚氧乙烯链和疏水性尾部的长度如何改变CMC值。发现GAP的CMC值比聚乙氧基化烷基酚型的相应常规单尾非离子表面活性剂的CMC值低得多，这表明双子物种具有更好的表面活性。

  DOI：

  10.1007/s11743-011-1245-8

文献信息

• The effect of hydrophobic-lipophilic interactions on chemical reactivity. 1. New evidence for intermolecular aggregation and self-coiling
  作者：Xikui Jiang、Yongzheng Hui、Weiqiang Fan

  DOI：10.1021/ja00325a022

  日期：1984.6

  Etude cinetique de l'hydrolyse de vingt et un esters phenyliques p-substitues d'acides alcanoiques avec diverses longueurs de chaines dans des melanges DMSO-eau

  Etude cinetique de l'hydrolyse de vingt et unesters phenyliques p-substitues d'acides alcanoiques avec differents longueurs de chaines dans des melanges DMSO-eau
• Laundry Care Composition Comprising Carboxylate Dye
  申请人：Milliken & Company

  公开号：US20150080561A1

  公开（公告）日：2015-03-19

  The present invention relates to laundry care compositions comprising carboxylate dyes. The laundry care compositions can be laundry detergent compositions, laundry additive compositions such as fabric enhancer compositions or bleach additive compositions. Preferably, the laundry care composition is a laundry detergent composition. The composition can be a solid, such as a powder, tablet or bar, or a liquid. The composition can be in the form of a unit dose, such as pouch. Suitable unit dose pouches include single compartment and multi-compartment pouches.

  本发明涉及包含羧酸盐染料的洗涤护理组合物。洗涤护理组合物可以是洗涤剂组合物，洗涤添加剂组合物，如织物增良剂组合物或漂白剂添加剂组合物。最好，洗涤护理组合物是洗涤剂组合物。该组合物可以是固体，如粉末、片剂或条形，也可以是液体。该组合物可以是单剂形式，如袋装。适用的单剂袋包括单隔室和多隔室袋。
• Catalytic reductive deoxygenation of esters to ethers driven by hydrosilane activation through non-covalent interactions with a fluorinated borate salt
  作者：Vincent Rysak、Ruchi Dixit、Xavier Trivelli、Nicolas Merle、Francine Agbossou-Niedercorn、Kumar Vanka、Christophe Michon

  DOI：10.1039/d0cy00775g

  日期：——

  We report the catalytic and transition metal-free reductive deoxygenation of esters to ethers through the use of a hydrosilane and a fluorinated borate BArF salt as a catalyst. Experimental and theoretical studies support the role of noncovalent interactions between the fluorinated catalyst, the hydrosilane and the ester substrate in the reaction mechanism.

  我们报道了通过使用氢化硅烷和氟化硼酸盐BArF盐作为催化剂，将酯催化合成为醚的无催化和过渡金属的还原性脱氧。实验和理论研究支持氟化催化剂，氢硅烷和酯底物之间非共价相互作用在反应机理中的作用。
• [EN] LAUNDRY CARE COMPOSITION COMPRISING CARBOXYLATE DYE<br/>[FR] COMPOSITION D'ENTRETIEN DU LINGE COMPRENANT UN COLORANT CARBOXYLATE
  申请人：PROCTER & GAMBLE

  公开号：WO2015041814A1

  公开（公告）日：2015-03-26

  The present invention relates to a laundry care composition comprising from 0.00001 wt% to 0.5 wt% thiophene azo carboxylate dye having the structure of Formula I: (Formula I), wherein D1 is a thiophene group; wherein D2 is a carbocylic phenylene; wherein the two N atoms shown in Formula I bound directly to the carbocyclic phenylene are in a para-substitution to one another; wherein R1 is independently selected from [(CH2CR'HO)x(CH2CR"HO)y((CH2)wNH)zQ], C1-12 alkyl, C6-10 aryl, or C7-C22 aryl alkyl; wherein R2 is [(CH2CR'HO)x'(CH2CR"HO)y'((CH2)w'NH)z'Q]; wherein the sum of x + y + x' + y' is in the range of from 0 to 50; wherein x is an integer from 0 to 50; wherein x' is an integer from 0 to 50; wherein y is an integer from 0 to 50; wherein y' is an integer from 0 to 50; wherein w and w' are integers independently selected from 2 and 3; wherein z and z' are integers independently selected from 0 and 1; wherein R' and R" are each independently selected from the group consisting of H, C1-C4 alkyl, CH2O(CH2CH2O)a((CH2)bNH)dQ, phenyl and CH2OR5; wherein each R5 is independently selected from the group consisting of C1-C16 linear or branched alkyl, C6-C14 aryl, and C7-C16 arylalkyl; wherein each a is an integer independently selected from 0 to 2; wherein each b is an integer independently selected from 2 to 3; wherein each d is an integer independently selected from 0 to 1; wherein each Q is independently selected from the group consisting of H and Y, preferably all Q groups are independently selected Y groups; wherein each Y is an independently selected organic radical represented by Formula II (Formula II), wherein independently for each Y group: M is H or a charge balancing cation; m is an integer selected from 0 to 5, preferably 0, 1, 2 or 3, more preferably 0 or 1; n is an integer selected from 0 to 5, preferably 0, 1, 2 or 3, more preferably 0 or 1; the sum of m + n is in the range of from 1 to 10, preferably 1, 2 or 3, more preferably 1 or 2; and each R8 is independently selected from the group consisting of H, C3-18 or C4-C18 linear or branched alkyl, and C3-18 or C4-C18 linear or branched alkenyl; at least one R8 group is not H; wherein the sum of z + z' + d is at least 1; characterized in that the dye comprises at least one Q group that is Y and is either: (a) bound to a N atom in an R1 group wherein the index z is 1; or (b) bound to a N atom in an R2 group wherein the index z' is 1; or (c) bound to a N atom in an R' or R" group wherein the index d is 1.

  本发明涉及一种洗涤护理组合物，其中含有从0.00001重量％到0.5重量％的噻吩偶氮羧酸酯染料，其具有以下结构的公式I：（公式I），其中D1是一个噻吩基团；其中D2是一个碳环苯基；在公式I中所示的两个N原子直接与碳环苯基结合，彼此之间处于对位取代；其中R1独立地选自[(CH2CR'HO)x(CH2CR"HO)y((CH2)wNH)zQ]、C1-12烷基、C6-10芳基或C7-C22芳基烷基；其中R2是[(CH2CR'HO)x'(CH2CR"HO)y'((CH2)w'NH)z'Q]；其中x + y + x' + y'的总和在0至50的范围内；其中x是从0到50的整数；其中x'是从0到50的整数；其中y是从0到50的整数；其中y'是从0到50的整数；其中w和w'是独立选择的整数，取自2和3；其中z和z'是独立选择的整数，取自0和1；其中R'和R"各自独立地选自H、C1-C4烷基、CH2O(CH2CH2O)a((CH2)bNH)dQ、苯基和CH2OR5的群；其中每个R5独立地选自C1-C16直链或支链烷基、C6-C14芳基和C7-C16芳基烷基的群；其中每个a是独立选择的整数，取自0到2；其中每个b是独立选择的整数，取自2到3；其中每个d是独立选择的整数，取自0到1；其中每个Q是独立选择的，取自H和Y的群，最好所有Q群都是独立选择的Y群；其中每个Y是由公式II代表的独立选择的有机基团（公式II），对于每个Y群：M是H或一个电荷平衡阳离子；m是从0到5中选择的整数，最好为0、1、2或3，更好地为0或1；n是从0到5中选择的整数，最好为0、1、2或3，更好地为0或1；m + n的总和在1到10的范围内，最好为1、2或3，更好地为1或2；每个R8独立地选自H、C3-18或C4-C18直链或支链烷基，以及C3-18或C4-C18直链或支链烯基；至少一个R8群不是H；其中z + z' + d的总和至少为1；其特征在于染料包含至少一个Q群，该Q群是Y并且是以下情况之一：（a）与R1群中的N原子结合，其中指数z为1；或（b）与R2群中的N原子结合，其中指数z'为1；或（c）与R'或R"群中的N原子结合，其中指数d为1。
• Thiophene Azo Dyes and Laundry Care Compositions Containing the Same
  申请人：Torres Eduardo

  公开号：US20120123101A1

  公开（公告）日：2012-05-17

  This application relates to thiophene azo dyes for use as hueing agents, laundry care compositions comprising such thiophene azo dyes, processes for making such thiophene azo dyes, and laundry care compositions and methods of using the same. The thiophene azo dyes contain a formally charged moiety and are generally comprised of at least two components: at least one chromophore component and at least one polymeric component. Suitable chromophore components generally fluoresce blue, red, violet, or purple color when exposed to ultraviolet light, or they may absorb light to reflect these same shades. These thiophene azo dyes are advantageous in providing a hueing effect, for example, a whitening effect to fabrics, while not building up over time and causing undesirable blue discoloration to the treated fabrics. The thiophene azo dyes are also generally stable to bleaching agents used in laundry care compositions.

  本申请涉及用作着色剂的噻吩偶氮染料，包括含有这种噻吩偶氮染料的洗涤护理组合物，制备这种噻吩偶氮染料的方法，以及包含这种噻吩偶氮染料的洗涤护理组合物和使用方法。这些噻吩偶氮染料含有一个形式上带电的基团，通常由至少两个组分组成：至少一个色团组分和至少一个聚合物组分。适用的色团组分通常在紫外光照射下呈蓝色、红色、紫色或紫色，或者它们可以吸收光线以反射这些相同的色调。这些噻吩偶氮染料在提供着色效果方面具有优势，例如，对织物产生美白效果，同时不会随时间累积并导致处理过的织物产生不良的蓝色变色。这些噻吩偶氮染料通常对洗涤护理组合物中使用的漂白剂具有稳定性。

表征谱图