[(3R)-3,5,5-Trimethylhexyl] Butanoate
[CAS# 72939-68-5]

Identification

• Name: [(3R)-3,5,5-Trimethylhexyl] Butanoate
• Synonyms: Butanoic Acid [(3R)-3,5,5-Trimethylhexyl] Ester; Butyric Acid [(3R)-3,5,5-Trimethylhexyl] Ester; 3,5,5-Trimethylhexyl Butyrate
• Molecular Formula: C₁₃H₂₆O₂
• Molecular Weight: 214.35
• CAS Registry Number: 72939-68-5
• SMILES: [C@H](CCOC(=O)CCC)(CC(C)(C)C)C
• InChI: 1S/C13H26O2/c1-6-7-12(14)15-9-8-11(2)10-13(3,4)5/h11H,6-10H2,1-5H3/t11-/m0/s1
• InChIKey: HUSIKNOPTGNAOC-NSHDSACASA-N

Properties

• Density: 0.868g/cm³ (Cal.)
• Boiling point: 229.562°C at 760 mmHg (Cal.)
• Flash point: 95.071°C (Cal.)