Ethyl 5-(3-bromo-5-methylphenyl)-5-oxopentanoate
[CAS# 898777-06-5]

Identification

• Name: Ethyl 5-(3-bromo-5-methylphenyl)-5-oxopentanoate
• Synonyms: ethyl 5-(3-bromo-5-methylphenyl)-5-oxovalerate
• Molecular Formula: C₁₄H₁₇BrO₃
• Molecular Weight: 313.19
• CAS Registry Number: 898777-06-5
• SMILES: Cc1cc(cc(Br)c1)C(=O)CCCC(=O)OCC
• InChI: 1S/C14H17BrO3/c1-3-18-14(17)6-4-5-13(16)11-7-10(2)8-12(15)9-11/h7-9H,3-6H2,1-2H3
• InChIKey: ALFLFHQQSHWPDN-UHFFFAOYSA-N

Properties

• Density: 1.308g/cm³ (Cal.)
• Boiling point: 404.81°C at 760 mmHg (Cal.)
• Flash point: 198.622°C (Cal.)
• Refractive index: 1.528 (Cal.)