Isobutyl 3,5,5-Trimethylhexanoate
[CAS# 71436-96-9]

Identification

• Name: Isobutyl 3,5,5-Trimethylhexanoate
• Synonyms: Isobutyl 3,5,5-Trimethylhexanoate; 3,5,5-Trimethylhexanoic Acid Isobutyl Ester
• Molecular Formula: C₁₃H₂₆O₂
• Molecular Weight: 214.35
• CAS Registry Number: 71436-96-9
• EINECS: 275-455-3
• SMILES: C(OC(=O)CC(CC(C)(C)C)C)C(C)C
• InChI: 1S/C13H26O2/c1-10(2)9-15-12(14)7-11(3)8-13(4,5)6/h10-11H,7-9H2,1-6H3
• InChIKey: FZZAUWKVCPGABZ-UHFFFAOYSA-N

Properties

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