4-{[2-Hydroxy-3-(stearoyloxy)propoxy]carbonyl}isophthalic acid
[CAS# 85098-97-1]

Identification

• Name: 4-{[2-Hydroxy-3-(stearoyloxy)propoxy]carbonyl}isophthalic acid
• Synonyms: 1-[2-hydroxy-3-[(1-oxooctadecyl)oxy]propyl] dihydrogen benzene-1,2,4-tricarboxylate
• Molecular Formula: C₃₀H₄₆O₉
• Molecular Weight: 550.68
• CAS Registry Number: 85098-97-1
• EINECS: 285-451-3
• SMILES: O=C(O)c1cc(ccc1C(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCC)C(O)=O
• InChI: 1S/C30H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(32)38-21-24(31)22-39-30(37)25-19-18-23(28(33)34)20-26(25)29(35)36/h18-20,24,31H,2-17,21-22H2,1H3,(H,33,34)(H,35,36)
• InChIKey: FYBRATJWVPMOTD-UHFFFAOYSA-N

Properties

• Density: 1.138g/cm³ (Cal.)
• Boiling point: 712.231°C at 760 mmHg (Cal.)
• Flash point: 222.512°C (Cal.)