4,4-Dimethyl-6-Oxoheptanoic Acid
[CAS# 471-04-5]

Identification

• Name: 4,4-Dimethyl-6-Oxoheptanoic Acid
• Molecular Formula: C₉H₁₆O₃
• Molecular Weight: 172.22
• CAS Registry Number: 471-04-5
• SMILES: O=C(C)CC(C)(C)CCC(O)=O
• InChI: 1S/C9H16O3/c1-7(10)6-9(2,3)5-4-8(11)12/h4-6H2,1-3H3,(H,11,12)
• InChIKey: AAHYNJGKLHADNZ-UHFFFAOYSA-N

Properties

• Density: 1.02g/cm³ (Cal.)
• Boiling point: 308.807°C at 760 mmHg (Cal.)
• Flash point: 154.784°C (Cal.)