oxallic acid isobutyle nonyl ester | 959275-48-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: oxallic acid isobutyle nonyl ester
• 英文别名: isobutyl nonyl ester oxalic acid；2-methylpropyl nonyl oxalate；Oxalic acid, isobutyl nonyl ester；2-O-(2-methylpropyl) 1-O-nonyl oxalate
• CAS: 959275-48-0
• 化学式: C₁₅H₂₈O₄
• 分子量: 272.385
• InChiKey: FFFMBVYSYMUSKR-UHFFFAOYSA-N

物化性质

• 沸点：
  333.4±11.0 °C(Predicted)
• 密度：
  0.960±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  19
• 可旋转键数：
  13
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  马拉松 在 carboxylesterase from Escherichia coli IES-02 作用下， 以 aq. phosphate buffer 为溶剂， 反应 1.0h， 生成 2-二甲氧基硫代膦酰硫基丁二酸 、 富马酸单乙酯 、 异甲基硫 、 马拉硫磷alpha-单酸 、 oxallic acid isobutyle nonyl ester 、 马来酸二乙酯
  参考文献：
  名称：

  A comparative study on degradation of complex malathion organophosphate using of Escherichia coli IES-02 and a novel carboxylesterase

  摘要：

  Malathion organophosphates considered as the major constituent of herbicides, pesticides and insecticides. Extensively used in agricultural, horticultures and for numerous household applications contributes to precedence organic pollutants leading antagonistic effects on human health and environment. Therefore detoxification of malathion from contaminated site is of general interest. Simultaneously it is very emerging to isolated novel indigenous microbial strains from contaminated site with a record of pesticide application. In this study Escherichia coli IES-02 isolated from malathion contaminant effluent and the strain showed maximum efficiency in malathion degradation that utilized it as the sole source of carbon. Carboxylesterase (33.0, 30.0, 28.0 kDa) were purified (1685.71 U/mg) from Escherichia coli IES-02 showed significant results in malathion degradation approximately 81% within 20 min as compared with Escherichia coli IES-02 cells within 4 h (99.0 to 95.0%) into monocarboxylic acid and diacid derivatives. The generation time of Escherichia coli was also observed at 60 min with 0.1 ppm, 68 min with 0.5 ppm, 74.5 min with 2.0 ppm and 91.37 min with 50 ppm of malathion. The degradation rate and transformation metabolites were estimated by Gas Chromatography-Mass Spectrometry respectively. Malathion metabolites pathway proposed in this study which revealed the potential application against lethal environmental pollution. (C) 2019 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ijbiomac.2019.12.192

文献信息

• Cleaning formulations for chemically sensitive individuals: compositions and methods
  申请人：van Buskirk Gregory

  公开号：US10767137B2

  公开（公告）日：2020-09-08

  The present disclosure relates to cleaning compositions in general, and cleaning compositions that are well suited for use by individuals, who experience adverse health effects that may occur upon exposure to certain chemicals. This condition, characterized as multiple chemical sensitivities (MCS), makes it virtually impossible for certain individuals to use commercially available cleaning products without inducing immunological responses. The instant disclosure presents and describes protocols for the formulation and evaluation of a variety of cleaning products using a combination of 14C assay, head space analysis and screening of ingredients and products by highly sensitized individuals. The methods and compositions newly presented herein avoid causing adverse health responses in individuals and are suitable for use by any person, particularly individuals who experience MCS.

  本公开涉及一般清洁组合物，以及非常适合个人使用的清洁组合物，这些人在接触某些化学品时可能会对健康产生不良影响。这种情况被称为多重化学敏感性（MCS），使得某些人几乎不可能在使用市售清洁产品时不引起免疫反应。本次公开的内容介绍和描述了各种清洁产品的配制和评估规程，这些规程结合使用了 14C 检测法、头部空间分析法以及高度致敏个体对成分和产品的筛选法。本文新介绍的方法和组合物可避免对个人健康造成不良反应，适合任何人使用，尤其是经历过 MCS 的人。
• CLEANING FORMULATIONS FOR CHEMICALLY SENSITIVE INDIVIDUALS: COMPOSITIONS AND METHODS
  申请人：Steinemann, Anne

  公开号：EP3134499A1

  公开（公告）日：2017-03-01
• Cleaning Formulations for Chemically Sensitive Individuals: Compositions and Methods
  申请人：van Buskirk Gregory

  公开号：US20170044466A1

  公开（公告）日：2017-02-16

  The present disclosure relates to cleaning compositions in general, and cleaning compositions that are well suited for use by individuals, who experience adverse health effects that may occur upon exposure to certain chemicals. This condition, characterized as multiple chemical sensitivities (MCS), makes it virtually impossible for certain individuals to use commercially available cleaning products without inducing immunological responses. The instant disclosure presents and describes protocols for the formulation and evaluation of a variety of cleaning products using a combination of 14 C assay, head space analysis and screening of ingredients and products by highly sensitized individuals. The methods and compositions newly presented herein avoid causing adverse health responses in individuals and are suitable for use by any person, particularly individuals who experience MCS.
• Cleaning Formulations for Chemically Sensitive Individuals: Compositions and Methods
  申请人：van Buskirk Gregory

  公开号：US20200377822A1

  公开（公告）日：2020-12-03

  The present disclosure relates to cleaning compositions in general, and cleaning compositions that are well suited for use by individuals, who experience adverse health effects that may occur upon exposure to certain chemicals. This condition, characterized as multiple chemical sensitivities (MCS), makes it virtually impossible for certain individuals to use commercially available cleaning products without inducing immunological responses. The disclosure presents and describes protocols for the formulation and evaluation of a variety of cleaning products using a combination of 14 C assay, head space analysis and screening of both ingredients and final products for governmentally-regulated materials. The methods and compositions newly presented herein avoid causing adverse health responses in individuals and are suitable for use by any person, particularly individuals who experience MCS.
• [EN] CLEANING FORMULATIONS FOR CHEMICALLY SENSITIVE INDIVIDUALS: COMPOSITIONS AND METHODS<br/>[FR] FORMULATIONS DE NETTOYAGE POUR DES INDIVIDUS SENSIBLES AUX PRODUITS CHIMIQUES : COMPOSITIONS ET PROCÉDÉS
  申请人：VAN BUSKIRK GREGORY

  公开号：WO2015164677A1

  公开（公告）日：2015-10-29

  The present disclosure relates to cleaning compositions in general, and cleaning compositions that are well suited for use by individuals, who experience adverse health effects that may occur upon exposure to certain chemicals. This condition, characterized as multiple chemical sensitivities (MCS), makes it virtually impossible for certain individuals to use commercially available cleaning products without inducing immunological responses. The instant disclosure presents and describes protocols for the formulation and evaluation of a variety of cleaning products using a combination of 14C assay, head space analysis and screening of ingredients and products by highly sensitized individuals. The methods and compositions newly presented herein avoid causing adverse health responses in individuals and are suitable for use by any person, particularly individuals who experience MCS.