2,2'-[2,2-Dimethyl-1,3-Propanediylbis(Oxycarbonyl)]Bis(Benzoic Acid 6-Methylheptyl) Ester
[CAS# 71097-28-4]

Identification

• Name: 2,2'-[2,2-Dimethyl-1,3-Propanediylbis(Oxycarbonyl)]Bis(Benzoic Acid 6-Methylheptyl) Ester
• Synonyms: Benzene-1,2-Dicarboxylic Acid Bis(6-Methylheptyl) Ester; Diisooctyl 1,2-Benzenedicarboxylate; Diop
• Molecular Formula: C₂₄H₃₈O₄
• Molecular Weight: 390.56
• CAS Registry Number: 71097-28-4 (41375-90-0)
• SMILES: C1=CC=C(C(=C1)C(OCCCCCC(C)C)=O)C(OCCCCCC(C)C)=O
• InChI: 1S/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3
• InChIKey: IJFPVINAQGWBRJ-UHFFFAOYSA-N

Properties

• Density: 0.983 (Expl.)
• Boiling point: 384.9±10.0°C at 760 mmHg (Cal.)
• Flash point: 204.5±8.5°C (Cal.)

References

• (1): Hongyuan Yan, Baomi Liu, Jingjing Du and Kyung Ho Row. Simultaneous determination of four phthalate esters in bottled water using ultrasound-assisted dispersive liquid–liquid microextraction followed by GC-FID detection, Analyst, 2010, 135, 2585.