5-Oxo-5-(4-Pentylphenyl)Pentanoic Acid
[CAS# 178686-76-5]

Identification

• Name: 5-Oxo-5-(4-Pentylphenyl)Pentanoic Acid
• Synonyms: 5-oxo-5-(4-n-pentylphenyl)valeric acid
• Molecular Formula: C₁₆H₂₂O₃
• Molecular Weight: 262.34
• CAS Registry Number: 178686-76-5
• SMILES: OC(=O)CCCC(=O)c1ccc(CCCCC)cc1
• InChI: 1S/C16H22O3/c1-2-3-4-6-13-9-11-14(12-10-13)15(17)7-5-8-16(18)19/h9-12H,2-8H2,1H3,(H,18,19)
• InChIKey: VYJQDSMGJZYNCN-UHFFFAOYSA-N

Properties

• Density: 1.06g/cm³ (Cal.)
• Boiling point: 444.255°C at 760 mmHg (Cal.)
• Flash point: 236.61°C (Cal.)
• Refractive index: 1.519 (Cal.)