(S)-2-Methylbutyl Octanoate
[CAS# 55195-31-8]

Identification

• Name: (S)-2-Methylbutyl Octanoate
• Synonyms: Octanoic Acid 2-Methylbutyl Ester; Caprylic Acid 2-Methylbutyl Ester; (S)-2-Methylbutyl Octanoate
• Molecular Formula: C₁₃H₂₆O₂
• Molecular Weight: 214.35
• CAS Registry Number: 55195-31-8
• EINECS: 259-525-0
• SMILES: C(C)CCCCCC(OCC(CC)C)=O
• InChI: 1S/C13H26O2/c1-4-6-7-8-9-10-13(14)15-11-12(3)5-2/h12H,4-11H2,1-3H3
• InChIKey: XZLBJDGPIWDVIJ-UHFFFAOYSA-N

Properties

• Density: 0.868g/cm³ (Cal.)
• Boiling point: 248.915°C at 760 mmHg (Cal.)
• Flash point: 104.688°C (Cal.)