Heptyl Isovalerate
[CAS# 56423-43-9]

Identification

• Name: Heptyl Isovalerate
• Synonyms: 3-Methylbutanoic Acid Heptyl Ester; 3-Methylbutyric Acid Heptyl Ester; Ai3-33615
• Molecular Formula: C₁₂H₂₄O₂
• Molecular Weight: 200.32
• CAS Registry Number: 56423-43-9
• EINECS: 260-170-9
• SMILES: C(C(OCCCCCCC)=O)C(C)C
• InChI: 1S/C12H24O2/c1-4-5-6-7-8-9-14-12(13)10-11(2)3/h11H,4-10H2,1-3H3
• InChIKey: NPBMPHKEFVCCEY-UHFFFAOYSA-N

Properties

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