1-苯氧基丙烷-2-基乙酸酯 | 5413-56-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-苯氧基丙烷-2-基乙酸酯
• 英文名称: 1-phenoxy-2-propyl acetate
• 英文别名: 1-Phenyloxy-2-acetyloxy-propan；2-Acetoxy-1-phenoxypropan；1-Phenoxypropan-2-yl acetate
• CAS: 5413-56-9
• 化学式: C₁₁H₁₄O₃
• mdl: MFCD18430712
• 分子量: 194.23
• InChiKey: QWWTXMUURQLKOT-UHFFFAOYSA-N

物化性质

• 沸点：
  140-141.5 °C(Press: 23 Torr)
• 密度：
  1.0696 g/cm3
• 保留指数：
  1436

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-苯氧基-丙醇 、 乙酸酐 92.0 ℃ 、133.32 Pa 条件下， 生成 1-苯氧基丙烷-2-基乙酸酯
  参考文献：
  名称：

  A Novel Alkaline Esterase fromSporosarcinasp. nov. Strain eSP04 Catalyzing the Hydrolysis of a Wide Variety of Aryl-carboxylic Acid Esters

  摘要：

  A novel esterase showing activity specific for esters of aryl-carboxylic acids was discovered in Sporosarcina sp. nov., which was identified by the 168 rDNA sequencing method in addition to morphological and physiological analyses. The aryl-carboxylesterase (named EstAC) was purified 780-fold from crude cell extracts by a 5-step procedure. EstAC was characterized as a monomeric protein with a molecular weight of 43,000, an optimum pH of around 9.0, and an optimum temperature of 40 degrees C. The pH optimum and the effects of inhibitors together with an internal amino acid sequence suggested that EstAC is a member of family VIII esterases. EstAC was found to be highly active on a wide variety of substrates such as alkyl benzoates, alkyl phenylacetates, ethyl alpha- or beta-substituted phenylpropionates, dialkyl terephthalates, dimethyl isophthalate, and ethylene glycol dibenzoate. However, monomethyl terephthalate was not hydrolyzed. It was suggested that EstAC had 4-hydroxybenzoyl and cinnamoyl esterase activities as well.

  DOI：

  10.1271/bbb.120332

文献信息

• Hair growth stimulant
  申请人：——

  公开号：US20030003071A1

  公开（公告）日：2003-01-02

  The present invention provides a hair growth agent and a hair fostering shampoo that have N-methyltaurine as an essential ingredient, and have hair growth period extending effects, and moreover are capable of giving hair fitness and body and giving hair a feeling of volume. Moreover, the present invention also provides a cell activating agent and a hair fitness/body improving agent that are blended into hair cosmetics.

  本发明提供了一种含有N-甲基牛磺酸作为基本成分的生发剂和促进头发生长的洗发水，它们具有延长头发生长期的效果，并且能够赋予头发健康和体积感，使头发感觉更加丰盈。此外，本发明还提供了一种细胞活化剂和一种混合在头发化妆品中的头发健康/体积改善剂。
• New Ring Opening Reactions of Oxiranes with Aryl Carboxylates
  作者：Kazutoshi Funahashi

  DOI：10.1246/bcsj.52.1488

  日期：1979.5

  Oxiranes reacted with aryl esters in the presence of base. The reactions of aryl carboxylates with alkyloxiranes afforded almost exclusively 1-alkyl-2-(aryloxy) ethyl carboxylates, whereas the reactions with aryloxiranes gave a mixture of 1-aryl-2-(aryloxy) ethyl carboxylates and 2-aryl-2-(aryloxy) ethyl carboxylates. Similar results were also obtained in the reaction with S-aryl thiocarboxylates and diaryl carbonates. The rate of reaction between phenyl acetate and phenoxymethyloxirane (PMO) in the presence of tributylamine (n-Bu3N) as a catalyst has been determined in the temperature range 110 to 130 °C and may be expressed by –d[PMO]⁄dt=k2[n-Bu3N]·[PMO]. The apparent activation energy calculated from the Arrhenius plots is 85.8 kj/mol. The reaction catalyzed by tributylamine is assumed to proceed through zwitter ions, n-Bu3\overset+NCH2CH(R)O− and n-Bu3\overset+NCH(R)CH2O−, which attack aryl carboxylate.

  在碱存在下，环氧乙烷与芳基酯反应。烷基环氧乙烷与芳基羧酸酯的反应主要生成1-烷基-2-芳氧基乙基羧酸酯，而芳基环氧乙烷的反应则生成1-芳基-2-芳氧基乙基羧酸酯和2-芳基-2-芳氧基乙基羧酸酯的混合物。在硫代芳基羧酸酯和二芳基碳酸酯与环氧乙烷的反应中也得到了类似的结果。在110至130°C的温度范围内，测定了苯甲酸乙酯与苯氧甲基环氧乙烷（PMO）在三丁胺（n-Bu3N）催化下的反应速率，可以用-d[PMO]/dt=k2[n-Bu3N]·[PMO]表示。从阿伦尼乌斯图计算出的表观活化能为85.8 kJ/mol。三丁胺催化的反应被认为是通过两性离子进行的，n-Bu3\overset+NCH2CH(R)O−和n-Bu3\overset+NCH(R)CH2O−，它们攻击芳基羧酸酯。
• 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。
• [EN] COMPOSITION FOR INHIBITING MICRO-ORGANISMS<br/>[FR] COMPOSITION D'INHIBITION DE MICRO-ORGANISMES
  申请人：CLARIANT INT LTD

  公开号：WO2019115478A1

  公开（公告）日：2019-06-20

  The present invention relates to a composition for inhibiting micro-organisms, as well as related processes, formulations, concentrates and uses. The composition comprises at least 30 wt.-% compound X, wherein compound X is according to Formula (I) wherein R is an unsaturated hydrocarbon chain having 5 to 13 carbon atoms; and wherein R1 is -H or a C1-6 unsubstituted alkyl moiety, preferably R1 is methyl.

  本发明涉及一种用于抑制微生物的组合物，以及相关的工艺、配方、浓缩物和用途。该组合物包括至少30重量％的化合物X，其中化合物X符合以下化学式(I)，其中R是具有5至13个碳原子的不饱和碳氢链；R1为-H或C1-6未取代烷基基团，最好R1为甲基。
• [EN] COMPOSITION FOR INHIBITING MICRO-ORGANISMS<br/>[FR] COMPOSITION POUR L'INHIBITION DE MICRO-ORGANISMES
  申请人：CLARIANT INT LTD

  公开号：WO2018002100A1

  公开（公告）日：2018-01-04

  The present invention relates to a composition for inhibiting micro-organisms, as well as related processes, formulations, concentrates and uses. The composition comprises at least 30 wt.-% compound X, wherein compound X is according to Formula (I): wherein R is a saturated or unsaturated hydrocarbon chain having seven or nine carbon atoms, or a mixture thereof.

  本发明涉及一种抑制微生物的组合物，以及相关的过程、配方、浓缩物和用途。该组合物包含至少30重量％的化合物X，其中化合物X符合公式（I）：其中R是具有七个或九个碳原子的饱和或不饱和碳氢链，或其混合物。