n-Butoxy methyl butyrate | 20617-98-5

• 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: n-Butoxy methyl butyrate
• 英文别名: Buttersaeure-n-butoxy-methylester；butyric acid butoxymethyl ester；Buttersaeure-butoxymethylester；Butoxymethyl butanoate
• CAS: 20617-98-5
• 化学式: C₉H₁₈O₃
• 分子量: 174.24
• InChiKey: UWDOXJIITLHUJO-UHFFFAOYSA-N

物化性质

• 沸点：
  183 °C
• 密度：
  0.9299 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 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：

  sodium butyrate 、 氯甲基丁基醚 生成 n-Butoxy methyl butyrate
  参考文献：
  名称：

  Walker, vol. 9, p. 187

  摘要：

  DOI：

文献信息

• Has the maximum of Solar Cycle 23 appeared?
  作者：Jialong Wang、Jiancun Gong、Jizhou Tong、Jinglan Sun、Cuilan Zhu

  DOI：10.1007/bf02900615

  日期：2001.10

  In this note, we define firstly a compositive parameter as an index describing the level of solar activity in a solar cycle. The parameter is derived from a combination of the smoothed monthly mean sunspot number with the fluctuation of the associated monthly mean sunspot numbers to the smoothed one. Then, a method is developed for estimating the time of the appearance of a solar maximum based on the conception of similar cycles. An application of the method to the 23rd solar cycle shows that the maximum of the cycle should have appeared in the period from April to August 2000, and the descending phase of Cycle 23 has come.
• Kinetic, Mechanistic, and Modeling Study of the OH-Radical-Initiated Oxidation of Di-<i>n</i>-butoxymethane (DNBM)
  作者：T. Maurer、H. Geiger、I. Barnes、K. H. Becker、L. P. Thüner

  DOI：10.1021/jp001901x

  日期：2000.11.1

  FTIR product studies of the OH-radical-initiate oxidation of di-n-butoxymethane (DNBM) in the presence of NOx were performed in an indoor photoreactor and in the outdoor simulation chamber EUPHORE in Valencia, Spain. The reaction products observed in both reaction chambers were n-butoxymethyl formate (NBMF), propionaldeyhde, and di-ii-butyl carbonate (DNBC), In the indoor reactor yields for NBMF and propionaldeyhde of 77 +/- 15 and 78 +/- 16 mol % were obtained in the system DNBM/MeONO/NOx/air/hv and 88 +/- 18 and 69 +/- 14 mol % in the system DNBM/H2O2/NOx/air/hv, respectively. In the outdoor chamber, yields of 80 +/- 8 and 44 +/- 11 mol % were obtained after sunlight irradiation of a DNBM/NOx/HONO/air mixture. For di-n-butyl carbonate (DNBC), an upper limit of less than or equal to 10 mol % was estimated for both reaction chambers. In the indoor photoreactor small amounts of n-butyl formate (NBF) and n-butoxymethyl butyrate (NBMB) were also detected with upper limits of 3 mol % for each compound. Bimolecular rate coefficients for the reactions of NBMF and DNBC with OH radicals were determined in the indoor photoreactor using the relative rate technique. Values of k(OH+NBMF) = (8.00 +/- 0.91) x 10(-12) cm(3) s(-1) and k(OH+DNBC) = (7.07 +/- 1.64) x 10(-12) cm(3) s(-1) were obtained. NBMF was synthesized and authentic samples were used for calibration. A photochemical mechanism was developed to describe the OH-initiated degradation of di-n-butoxymethane (DNBM) in the presence of NOx. The reaction scheme was tested by comparison of computer box model calculations and experimental data. Experimentally obtained and modeled concentration-time profiles for selected reactants are in excellent agreement.