Isopropyl 3,5,5-Trimethylhexanoate
[CAS# 53451-16-4]

Identification

• Name: Isopropyl 3,5,5-Trimethylhexanoate
• Synonyms: Isopropyl 3,5,5-Trimethylhexanoate; 3,5,5-Trimethylhexanoic Acid Isopropyl Ester
• Molecular Formula: C₁₂H₂₄O₂
• Molecular Weight: 200.32
• CAS Registry Number: 53451-16-4
• EINECS: 258-563-5
• SMILES: C(C(=O)OC(C)C)C(CC(C)(C)C)C
• InChI: 1S/C12H24O2/c1-9(2)14-11(13)7-10(3)8-12(4,5)6/h9-10H,7-8H2,1-6H3
• InChIKey: DPRDCWLARMPWSR-UHFFFAOYSA-N

Properties

• Density: 0.868g/cm³ (Cal.)
• Boiling point: 202.407°C at 760 mmHg (Cal.)
• Flash point: 78.804°C (Cal.)