17961-10-3 ((6-oxo-6-(pentyloxy)hexanoic acid)

CAS号:
17961-10-3
英文名称:
6-oxo-6-(pentyloxy)hexanoic acid
分子式:
C11H20O4
分子量:
216.274104118347

6-oxo-6-(pentyloxy)hexanoic acid(17961-10-3)名称与标识符

名称

英文别名:
6-oxo-6-(pentyloxy)hexanoic acid;hexanedioic acid, monopentyl ester;LogP;Hexanedioic acid, 1-pentyl ester;

标识符

InChIKey:
XMOUOZUUJHDLSN-UHFFFAOYSA-N
Inchi:
1S/C11H20O4/c1-2-3-6-9-15-11(14)8-5-4-7-10(12)13/h2-9H2,1H3,(H,12,13)
SMILES:
C(OCCCCC)(=O)CCCCC(O)=O

6-oxo-6-(pentyloxy)hexanoic acid(17961-10-3)物化性质

实验特性

  • PSA : 63.6
  • 沸点 : 171-172 °C(Press: 1 Torr)
  • 酸度系数(pKa) : 4.69±0.10(Predicted)
  • 密度 : 1.0216 g/cm3(Temp: 2 °C)

计算特性

  • 精确分子量 : 216.1362

6-oxo-6-(pentyloxy)hexanoic acid(17961-10-3)合成路线

合成路线:1 步
反应条件:
参考文献:
Intensification of cyclohexanone purification stage from impurities in caprolactam production using phase transfer catalysis
Martynenko, E. A.; Glazko, I. L.; Levanova, S. V.; Portnova, Yu. V., Russian Journal of Applied Chemistry, 2014, 87(7), 899-903