Hexanoic Acid 3,5,5-Trimethylhexyl Ester
[CAS# 73019-16-6]

Identification

• Name: Hexanoic Acid 3,5,5-Trimethylhexyl Ester
• Synonyms: Hexanoic Acid [(3R)-3,5,5-Trimethylhexyl] Ester; 3,5,5-Trimethylhexyl Hexanoate; Hexanoic Acid, 3,5,5-Trimethylhexyl Ester
• Molecular Formula: C₁₅H₃₀O₂
• Molecular Weight: 242.40
• CAS Registry Number: 73019-16-6
• SMILES: [C@H](CCOC(CCCCC)=O)(CC(C)(C)C)C
• InChI: 1S/C15H30O2/c1-6-7-8-9-14(16)17-11-10-13(2)12-15(3,4)5/h13H,6-12H2,1-5H3/t13-/m0/s1
• InChIKey: WZMVJDFJGFHBEJ-ZDUSSCGKSA-N

Properties

• Density: 0.866g/cm³ (Cal.)
• Boiling point: 263.271°C at 760 mmHg (Cal.)
• Flash point: 117.127°C (Cal.)