(7-Oxo-1-Cyclohepta-1,3,5-Trienyl) Acetate
[CAS# 33739-54-7]

Identification

• Name: (7-Oxo-1-Cyclohepta-1,3,5-Trienyl) Acetate
• Synonyms: Acetic Acid (7-Oxo-1-Cyclohepta-1,3,5-Trienyl) Ester; Acetic Acid (7-Keto-1-Cyclohepta-1,3,5-Trienyl) Ester; (7-Oxo-1-Cyclohepta-1,3,5-Trienyl) Ethanoate
• Molecular Formula: C₉H₈O₃
• Molecular Weight: 164.16
• CAS Registry Number: 33739-54-7
• SMILES: CC(OC1=CC=CC=CC1=O)=O
• InChI: 1S/C9H8O3/c1-7(10)12-9-6-4-2-3-5-8(9)11/h2-6H,1H3
• InChIKey: RCRHNSUOQUMQQV-UHFFFAOYSA-N

Properties

• Density: 1.179g/cm³ (Cal.)
• Boiling point: 313.8°C at 760 mmHg (Cal.)
• Flash point: 140.275°C (Cal.)