5-(4-Methoxy-3-Methylphenyl)-5-Oxopentanoic Acid
[CAS# 4642-30-2]

Identification

• Name: 5-(4-Methoxy-3-Methylphenyl)-5-Oxopentanoic Acid
• Synonyms: 5-(4-Methoxy-3-methylphenyl)-5-oxovaleric acid
• Molecular Formula: C₁₃H₁₆O₄
• Molecular Weight: 236.26
• CAS Registry Number: 4642-30-2
• SMILES: Cc1cc(ccc1OC)C(=O)CCCC(O)=O
• InChI: 1S/C13H16O4/c1-9-8-10(6-7-12(9)17-2)11(14)4-3-5-13(15)16/h6-8H,3-5H2,1-2H3,(H,15,16)
• InChIKey: SHQLJSBDGHUATC-UHFFFAOYSA-N

Properties

• Density: 1.15g/cm³ (Cal.)
• Boiling point: 439.061°C at 760 mmHg (Cal.)
• Flash point: 168.147°C (Cal.)