Tert-Butyl Octanoate
[CAS# 5457-66-9]

Identification

• Name: Tert-Butyl Octanoate
• Synonyms: Octanoic Acid Tert-Butyl Ester; Caprylic Acid Tert-Butyl Ester; Nsc23944
• Molecular Formula: C₁₂H₂₄O₂
• Molecular Weight: 200.32
• CAS Registry Number: 5457-66-9
• EINECS: 226-717-0
• SMILES: C(C)CCCCCC(=O)OC(C)(C)C
• InChI: 1S/C12H24O2/c1-5-6-7-8-9-10-11(13)14-12(2,3)4/h5-10H2,1-4H3
• InChIKey: BRHAUGJKIFZHDU-UHFFFAOYSA-N

Properties

• Density: 0.87g/cm³ (Cal.)
• Boiling point: 221.332°C at 760 mmHg (Cal.)
• Flash point: 88.43°C (Cal.)