1,2,7-庚三醇 | 37939-50-7

• 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: 1,2,7-庚三醇
• 中文别名: 1,2,7-庚三酸
• 英文名称: 1,2,7-heptanetriol
• 英文别名: 1,2,7-Heptantriol；Heptane-1,2,7-triol
• CAS: 37939-50-7
• 化学式: C₇H₁₆O₃
• mdl: MFCD01861288
• 分子量: 148.202
• InChiKey: CTRCJSPDRXFNNN-UHFFFAOYSA-N

物化性质

• 沸点：
  323.9±22.0 °C(Predicted)
• 密度：
  1.081±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  常规情况下不会分解，也没有危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  10
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

安全信息

• 海关编码：
  2905499000

文献信息

• [EN] KETAL ESTERS OF OXOCARBOXYLIC ACIDS AND PROCESS OF MAKING<br/>[FR] ESTERS CÉTALS D'ACIDES OXOCARBOXYLIQUES ET PROCÉDÉ DE FABRICATION
  申请人：SEGETIS INC

  公开号：WO2011032095A1

  公开（公告）日：2011-03-17

  A ketal ester of an oxocarboxylic acid and a process to make the same, where the ketal ester is of Structure (I): wherein a is 0 or an integer from 1 to 12; n is 0 or 1; R1 is a linear alkyl, aryl, arylalkylene, or branched alkyl group with 1-18 carbon atoms; R2 and R5 can be hydrogen, C1-6 straight chain or branched alkyl, phenyl, substituted phenyl, C1-6 alkyl substituted with up to four OH groups, C1-6 alkyl, or acetyl optionally substituted hydrocarbon radicals, or R2 and R4 together with the α-carbon form a cycloaliphatic or heterocyclic ring with 3-6 carbon atoms and 0-3 heteroatoms, provided that only one of R2 and R5 is hydrogen; R3 is a linear alkyl or branched alkyl group with 1-18 carbon atoms; and R4 is hydrogen, or an alkyl, aryl, aralkyl or branched alkyl group with 1-10 carbon atoms.

  一种羰基羧酸的酯环氧乙烷缩合物及其制备方法，其中酯环氧乙烷缩合物具有以下结构（I）：其中a为0或1-12的整数；n为0或1；R1为1-18个碳原子的线性烷基、芳基、芳基烷基或支链烷基；R2和R5可以是氢、C1-6直链或支链烷基、苯基、取代苯基、C1-6烷基取代的带有最多四个羟基的烷基、C1-6烷基或乙酰基，也可以是R2和R4与α-碳共同形成含有3-6个碳原子和0-3个杂原子的环状脂肪族或杂环；但只有R2和R5中的一个是氢；R3为1-18个碳原子的线性烷基或支链烷基；R4为氢、或1-10个碳原子的烷基、芳基、芳基烷基或支链烷基。
• Molecular Healing of Polymeric Materials, Coatings, Plastics, Elastomers, Composites, Laminates, Adhesives, and Sealants by Active Enzymes
  申请人：McDaniel C. Steven

  公开号：US20100210745A1

  公开（公告）日：2010-08-19

  Disclosed herein are polymeric materials such as a coating, a plastic, a laminate, a composite, an elastomer, an adhesive, or a sealant; a surface treatment such as a textile finish or a wax; a filler for such a polymeric material or a surface treatment that includes an enzyme such as an esterase (e.g., a lipolytic enzyme, a sulfuric ester hydrolase, an organophosphorus compound degradation enzyme), an enzyme (e.g., a lysozyme, a lytic transglycosylase) that degrades a cell wall and/or a cell membrane component, a biocidal or biostatic peotide, and/or a peptidase. Also disclosed herein are methods of altering a material's property such as service life, flexability, or rigidity, by incorporation of an enzyme into a material capable of being chemically crosslinked by the activity of a lipolytic enzyme, a hydrolase, and/or a urease.

  本文公开了一些聚合材料，如涂层、塑料、层压板、复合材料、弹性体、粘合剂或密封剂；一种表面处理，如纺织品涂层或蜡；一种填料，用于这样的聚合材料或表面处理，其中包括一种酶，如酯酶（例如，脂肪水解酶，硫酸酯水解酶，有机磷化合物降解酶），降解细胞壁和/或细胞膜成分的酶（例如，溶菌酶，裂解转糖基酶），生物杀菌或生物静态肽，以及/或肽酶。本文还公开了通过将酶纳入可通过脂肪水解酶、水解酶和/或脲酶的活性交联材料中来改变材料性能，如使用寿命、柔韧性或刚度的方法。
• Anti-fouling Paints and Coatings
  申请人：Reactive Surfaces LTD

  公开号：US20150191607A1

  公开（公告）日：2015-07-09

  Disclosed herein are polymeric materials such as a coating, a plastic, a laminate, a composite, an elastomer, an adhesive, or a sealant; a surface treatment such as a textile finish or a wax; a filler for such a polymeric material or a surface treatment that includes an enzyme such as an esterase (e.g., a lipolytic enzyme, a sulfuric ester hydrolase, an organophosphorus compound degradation enzyme), an enzyme (e.g., a lysozyme, a lytic transglycosylase) that degrades a cell wall and/or a cell membrane component, a biocidal or biostatic peptide, and/or a peptidase. Also disclosed herein are methods of altering a material's property such as service life, flexability, or rigidity, by incorporation of an enzyme into a material capable of being chemically crosslinked by the activity of a lipolytic enzyme, a hydrolase, and/or a urease.

  本文披露了聚合材料，例如涂层、塑料、层压材料、复合材料、弹性体、粘合剂或密封剂；表面处理，例如纺织品整理或蜡；填充剂，用于这种聚合材料或表面处理，包括酯酶（例如脂肪水解酶、硫酸酯水解酶、有机磷化合物降解酶）的酶，降解细胞壁和/或细胞膜成分的酶（例如溶菌酶、裂解转葡糖苷酶），生物杀菌或生物稳定肽，和/或肽酶。本文还披露了通过将酶并入能够通过脂肪水解酶、水解酶和/或脲酶的活性进行化学交联的材料中，改变材料性能（例如使用寿命、柔韧性或刚度）的方法。
• Polyketal Compounds, Synthesis, and Applications
  申请人：Selifonov Sergey

  公开号：US20110021658A1

  公开（公告）日：2011-01-27

  The invention relates to polyketal compounds. The compounds are synthesized by the selective ketalization of oxocarboxylic acids, e.g. keto acids and semialdehydes, and esters thereof with tetrols and higher polyols that products two or more cyclic ketal ester moieties per molecule, wherein the cyclic ketal moieties are situated in a bis-, tris-, or polyketal conformation. The invention further relates to applications of these compounds and subsequent reactions thereof.

  该发明涉及聚酯化合物。该化合物是通过选择性酮缩氧羧酸，例如酮酸和半醛，以及它们与四元醇和更高级聚醇的酯的缩酮化合成的，每个分子产生两个或更多的环状缩酮酯基团，其中环状缩酮基团位于双酯，三酯或聚酯构象中。该发明还涉及这些化合物及其后续反应的应用。
• Wet set additives for high resilience foam
  申请人：UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (a New York corporation)

  公开号：EP0367283A2

  公开（公告）日：1990-05-09

  Ethylene oxide (EO) adducts of di- ard tri-functional starters, such as, trimethylolpropane and glycerine, provide unexpected improvements in the "wet compression set" properties of high resilience (HR) urethane foams. Heretofore, wet set improvements have been achieved through the use of EO adducts of tetrols because of the high degree of crosslink density which these materials impart to a urethane polymeric composition. One commercial wet set additive, which is an EO adduct of pentaerythritol and diglycerine, is an effective wet set improver. Surprisingly, EO adducts of di- and tri-functional starters provide improvements in foam wet set properties, which are comparable to those obtained with such commercial wet set additive. Specifically, EO adducts of glycerine in the 500 to 10,000 molecular weight range yield foam wet set improvements equal to those of such commercial wet set additive at as low as 20 percent of the use level on an equivalent weight basis. Moreover, the EO adducts of glycerine yield foams having improved elongation properties and improved processing (stability) characteristics as compared to those observed with such commercial wet set additives. An EO adduct of glycerine having a number average MW of 1,000 is particularly useful in the invention.

  二、三官能起始剂（如三羟甲基丙烷和甘油）的环氧乙烷（EO）加成物可为高回弹性（HR）聚氨酯泡沫的 "湿压缩永久变形 "特性带来意想不到的改善。在此之前，湿固性的改善是通过使用四羟基环氧乙烷加成物来实现的，因为这些材料能赋予聚氨酯聚合物组合物高度的交联密度。一种商用湿固添加剂是季戊四醇和二甘油的环氧乙烷加合物，它是一种有效的湿固改进剂。令人惊奇的是，二官能团和三官能团起泡剂的环氧乙烷加合物可改善泡沫的湿固特性，其效果与使用此类商用湿固添加剂所获得的效果相当。具体来说，分子量范围在 500 到 10,000 之间的甘油环氧乙烷加合物，在同等重量的基础上，只要使用量低至 20%，就能改善泡沫的湿固性，与这种商用湿固添加剂的改善效果相当。此外，甘油的环氧乙烷加合物产生的泡沫与使用此类商用湿定添加剂观察到的泡沫相比，具有更好的伸长特性和更好的加工（稳定性）特性。平均分子量为 1,000 的甘油环氧乙烷加合物在本发明中特别有用。

表征谱图