Butan-2-Yl Octanoate
[CAS# 5458-61-7]

Identification

• Name: Butan-2-Yl Octanoate
• Synonyms: Octanoic Acid Sec-Butyl Ester; Caprylic Acid Sec-Butyl Ester; Nsc23741
• Molecular Formula: C₁₂H₂₄O₂
• Molecular Weight: 200.32
• CAS Registry Number: 5458-61-7
• SMILES: C(C(C)OC(CCCCCCC)=O)C
• InChI: 1S/C12H24O2/c1-4-6-7-8-9-10-12(13)14-11(3)5-2/h11H,4-10H2,1-3H3
• InChIKey: YLQZZVGQNWNEFP-UHFFFAOYSA-N

Properties

• Density: 0.869g/cm³ (Cal.)
• Boiling point: 231.855°C at 760 mmHg (Cal.)
• Flash point: 94.01°C (Cal.)