3,4-Bis{[(3,5,5-trimethylhexyl)oxy]carbonyl}benzoic acid
[CAS# 94031-19-3]

Identification

• Name: 3,4-Bis{[(3,5,5-trimethylhexyl)oxy]carbonyl}benzoic acid
• Synonyms: bis(3,5,5-trimethylhexyl) hydrogen benzene-1,2,4-tricarboxylate
• Molecular Formula: C₂₇H₄₂O₆
• Molecular Weight: 462.62
• CAS Registry Number: 94031-19-3
• EINECS: 301-724-2
• SMILES: O=C(OCCC(C)CC(C)(C)C)c1cc(ccc1C(=O)OCCC(C)CC(C)(C)C)C(O)=O
• InChI: 1S/C27H42O6/c1-18(16-26(3,4)5)11-13-32-24(30)21-10-9-20(23(28)29)15-22(21)25(31)33-14-12-19(2)17-27(6,7)8/h9-10,15,18-19H,11-14,16-17H2,1-8H3,(H,28,29)
• InChIKey: NBYNKFCKZBVTMQ-UHFFFAOYSA-N

Properties

• Density: 1.045g/cm³ (Cal.)
• Boiling point: 539.921°C at 760 mmHg (Cal.)
• Flash point: 165.654°C (Cal.)