5-(4-Hexylphenyl)-5-oxopentanoic acid
[CAS# 898791-53-2]

Identification

• Name: 5-(4-Hexylphenyl)-5-oxopentanoic acid
• Synonyms: 5-(4-hexylphenyl)-5-oxovaleric acid
• Molecular Formula: C₁₇H₂₄O₃
• Molecular Weight: 276.37
• CAS Registry Number: 898791-53-2
• SMILES: OC(=O)CCCC(=O)c1ccc(CCCCCC)cc1
• InChI: 1S/C17H24O3/c1-2-3-4-5-7-14-10-12-15(13-11-14)16(18)8-6-9-17(19)20/h10-13H,2-9H2,1H3,(H,19,20)
• InChIKey: BTXUJOXEPNZNKV-UHFFFAOYSA-N

Properties

• Density: 1.047g/cm³ (Cal.)
• Boiling point: 455.392°C at 760 mmHg (Cal.)
• Flash point: 243.337°C (Cal.)
• Refractive index: 1.516 (Cal.)