丙二酸丁乙酯 | 17373-84-1

• 物质功能分类: 香精与香料 - 合成香料 - 羧酸及酯类香料
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 丙二酸丁乙酯
• 英文名称: butyl ethyl malonate
• 英文别名: malonic acid ethyl ester-butyl ester；Malonsaeure-aethylester-butylester；3-O-butyl 1-O-ethyl propanedioate
• CAS: 17373-84-1
• 化学式: C₉H₁₆O₄
• mdl: MFCD00092334
• 分子量: 188.224
• InChiKey: IHVVZSPWQJWRDV-UHFFFAOYSA-N

物化性质

• 沸点：
  233℃
• 密度：
  1.022
• 闪点：
  105℃
• LogP：
  1.77
• 折光率：
  1.025-1.035

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.777
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2917190090

制备方法与用途

毒性：GRAS（FEMA）
使用限量： - FEMA (mg/kg)：饮料3.0；糖果0.13。 - FDA，§172．515(2000)：适量为限。
化学性质：沸点222℃。
用途：食品用香料。
生产方法：由醋酸乙酯的蒸气通350℃的焦炭或浮石而得。

反应信息

• 作为反应物：
  描述：

  聚合甲醛 、 三丁基,三丁酯 、 丙二酸丁乙酯 生成 Ethyl butyl [(dibutoxyphosphinyl)methyl]malonate
  参考文献：
  名称：

  Phosphonomethylation of malonic and cyanoagetic esters

  摘要：

  DOI：

  10.1007/bf00907048
• 作为产物：
  描述：

  乙酸丁酯 生成 丙二酸丁乙酯
  参考文献：
  名称：

  DE427856

  摘要：

  公开号：

文献信息

• BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
  申请人：SENOMYX, INC.

  公开号：US20160376263A1

  公开（公告）日：2016-12-29

  The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.

  本发明涵盖已知用于改变苦味感知的化合物和组合物，以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种：冷却剂；无活性药物成分；活性药用成分；食品添加剂或食品；调味剂或调味增强剂；食品或饮料产品；苦味化合物；甜味剂；苦味剂；酸味调味剂；咸味调味剂；鲜味调味剂；植物或动物产品；已知用于宠物护理产品中的化合物；已知用于个人护理产品中的化合物；已知用于家用产品中的化合物；制药制剂；局部制剂；大麻衍生或与大麻相关的产品；已知用于口腔护理产品中的化合物；饮料；香味、香水或除臭剂；已知用于消费品中的化合物；硅化合物；磨料；表面活性剂；发热剂；吸烟物品；脂肪、油脂或乳化剂；和/或益生菌或补充剂。
• A mild, rapid and convenient esterification of half esters of malonic acid
  作者：Arie L. Gutman、Aviv Boltanski

  DOI：10.1016/s0040-4039(00)98555-1

  日期：——

  A new method for the esterification of half esters of malonic acid with chloroformates is described. The reaction proceeds the mixed anhydride followed by spontaneous decarboxylation.

  描述了一种新的丙二酸半酯与氯甲酸酯酯化的方法。反应进行混合酸酐，然后自发脱羧。
• METHOD FOR PREPARING QUATERNARY PHOSPHONIUM SALTS
  申请人：Microvast Power Systems Co.,Ltd.

  公开号：US20150166587A1

  公开（公告）日：2015-06-18

  A two-step pathway for preparing high pure quaternary phosphonium salts is disclosed. In the first step, hydrogen phosphide (PH 3 ) or a higher phophine reacts with a protonic compound to produce a phosphonium salt, which then reacts with a carbonic acid diester to produce a quaternary phosphonium salt in the second step. On one hand, hydrogen phosphide (PH 3 ) and higher phophines, including primary phosphines, secondary phosphines, and tertiary phosphines, after neutralization with protonic compound, become sufficiently reactive and can be alkylated by carbonic acid diester to form quaternary phosphonium cations. On the other hand, as an anion-exchange procedure is completely avoided, the process not only gives quaternary phosphonium salts of high purity, but also gives people freedom to design the cation and the anion of a quaternary phosphonium salt synchronously by choosing a preferred phosphine and a protonic compound that can supply a desired anion.

  揭示了一种制备高纯度四元磷铵盐的两步途径。在第一步中，氢磷化物（PH3）或更高的磷化物与质子化合物发生反应，产生磷铵盐，然后在第二步中与碳酸二酯发生反应，产生四元磷铵盐。一方面，氢磷化物（PH3）和更高的磷化物，包括一次磷化物、二次磷化物和三次磷化物，在与质子化合物中和后变得足够活性，可以被碳酸二酯烷基化形成四元磷铵阳离子。另一方面，由于完全避免了阴离子交换程序，该过程不仅提供高纯度的四元磷铵盐，还使人们可以通过选择理想的磷化物和可以提供所需阴离子的质子化合物，同时设计四元磷铵盐的阳离子和阴离子。
• COMPOUNDS USEFUL AS MODULATORS OF TRPM8
  申请人：Senomyx, Inc.

  公开号：US20170096418A1

  公开（公告）日：2017-04-06

  The present disclosure relates to compounds which are useful as cooling sensation compounds.

  本公开涉及作为冷感化合物有用的化合物。
• Mixed-blocked polyisocyanates and uses thereof
  申请人：——

  公开号：US20040067318A1

  公开（公告）日：2004-04-08

  Mixed and hybrid blocked polyisocyanates as cross linking agents in coating compositions, having at least one 1,3-dicarbonyl blocking group and at least one thermally active blocking group such that the molar ratio of 1,3-dicarbonyl blocking groups to thermally active blocking groups is in the range of from 4:1 to 1:9, offer improved intercoat adhesion when overcoated and good stability.

  混合和杂化阻化聚异氰酸酯作为涂料组分中的交联剂，具有至少一个1,3-二酮阻化基和至少一个热活性阻化基，使得1,3-二酮阻化基与热活性阻化基的摩尔比在4:1到1:9的范围内，提供了在涂覆上层涂料时改善的层间附着力和良好的稳定性。