2-Methylpropanoic Acid 3,5,5-Trimethylhexyl Ester
[CAS# 67785-66-4]

Identification

• Name: 2-Methylpropanoic Acid 3,5,5-Trimethylhexyl Ester
• Synonyms: 2-Methylpropanoic Acid 3,5,5-Trimethylhexyl Ester; 2-Methylpropionic Acid 3,5,5-Trimethylhexyl Ester; 3,5,5-Trimethylhexyl Isobutyrate
• Molecular Formula: C₁₃H₂₆O₂
• Molecular Weight: 214.35
• CAS Registry Number: 67785-66-4
• SMILES: C(OC(=O)C(C)C)CC(C)CC(C)(C)C
• InChI: 1S/C13H26O2/c1-10(2)12(14)15-8-7-11(3)9-13(4,5)6/h10-11H,7-9H2,1-6H3
• InChIKey: YQQKBMWPUKVLIF-UHFFFAOYSA-N

Properties

• Density: 0.866g/cm³ (Cal.)
• Boiling point: 220.538°C at 760 mmHg (Cal.)
• Flash point: 90.482°C (Cal.)