6-(2,5-Dimethoxyphenyl)-6-Oxohexanoic Acid
[CAS# 79381-16-1]

Identification

• Name: 6-(2,5-Dimethoxyphenyl)-6-Oxohexanoic Acid
• Synonyms: 6-(2,5-Dimethoxyphenyl)-6-Oxo-Hexanoic Acid; 6-(2,5-Dimethoxyphenyl)-6-Keto-Hexanoic Acid; Nsc218336
• Molecular Formula: C₁₄H₁₈O₅
• Molecular Weight: 266.29
• CAS Registry Number: 79381-16-1
• SMILES: C1=C(C=CC(=C1C(=O)CCCCC(=O)O)OC)OC
• InChI: 1S/C14H18O5/c1-18-10-7-8-13(19-2)11(9-10)12(15)5-3-4-6-14(16)17/h7-9H,3-6H2,1-2H3,(H,16,17)
• InChIKey: WKCHCGWWPRZTBN-UHFFFAOYSA-N

Properties

• Density: 1.16g/cm³ (Cal.)
• Melting point: 75-77°C (Expl.)
• Boiling point: 452.823°C at 760 mmHg (Cal.)
• Flash point: 168.876°C (Cal.)