2-Methyl-4-(3-Methyl-1,4-Dioxonaphthalen-2-Yl)Butanoic Acid
[CAS# 34927-45-2]

Identification

• Name: 2-Methyl-4-(3-Methyl-1,4-Dioxonaphthalen-2-Yl)Butanoic Acid
• Synonyms: 2-Methyl-4-(3-Methyl-1,4-Dioxo-2-Naphthyl)Butanoic Acid; 4-(1,4-Diketo-3-Methyl-2-Naphthyl)-2-Methyl-Butyric Acid; 2-Methyl-4-(3-Methyl-1,4-Dioxo-Naphthalen-2-Yl)Butanoic Acid
• Molecular Formula: C₁₆H₁₆O₄
• Molecular Weight: 272.30
• CAS Registry Number: 34927-45-2
• SMILES: C1=CC=CC2=C1C(=O)C(=C(C2=O)C)CCC(C(=O)O)C
• InChI: 1S/C16H16O4/c1-9(16(19)20)7-8-11-10(2)14(17)12-5-3-4-6-13(12)15(11)18/h3-6,9H,7-8H2,1-2H3,(H,19,20)
• InChIKey: ALLYVKRLOHDVKI-UHFFFAOYSA-N

Properties

• Density: 1.234g/cm³ (Cal.)
• Boiling point: 472.429°C at 760 mmHg (Cal.)
• Flash point: 253.63°C (Cal.)