2-Octyl-gamma-Bromoacetoacetate
[CAS# 40529-35-9]

Identification

• Name: 2-Octyl-gamma-Bromoacetoacetate
• Synonyms: 1-Methylheptyl 4-Bromo-3-Oxo-Butanoate; 4-Bromo-3-Oxobutanoic Acid 1-Methylheptyl Ester; 4-Bromo-3-Keto-Butyric Acid 1-Methylheptyl Ester
• Molecular Formula: C₁₂H₂₁BrO₃
• Molecular Weight: 293.20
• CAS Registry Number: 40529-35-9
• SMILES: C(C(OC(CCCCCC)C)=O)C(=O)CBr
• InChI: 1S/C12H21BrO3/c1-3-4-5-6-7-10(2)16-12(15)8-11(14)9-13/h10H,3-9H2,1-2H3
• InChIKey: XYVHUTVZCCRZPW-UHFFFAOYSA-N

Properties

• Density: 1.218g/cm³ (Cal.)
• Boiling point: 328.323°C at 760 mmHg (Cal.)
• Flash point: 152.365°C (Cal.)