3-[(2E)-3-Phenyl-2-Propen-1-Yl]-2,4-Pentanedione
[CAS# 29638-71-9]

Identification

• Name: 3-[(2E)-3-Phenyl-2-Propen-1-Yl]-2,4-Pentanedione
• Synonyms: 3-((2E)-3-phenylprop-2-enyl)pentane-2,4-dione; 3-(3-Phenyl-2-propenyl)-2,4-pentanedione; 3-(3-phenylallyl)pentane-2,4-dione
• Molecular Formula: C₁₄H₁₆O₂
• Molecular Weight: 216.28
• CAS Registry Number: 29638-71-9
• SMILES: O=C(C)C(C(=O)C)C/C=C/c1ccccc1
• InChI: 1S/C14H16O2/c1-11(15)14(12(2)16)10-6-9-13-7-4-3-5-8-13/h3-9,14H,10H2,1-2H3/b9-6+
• InChIKey: PGEPOVPAPVUGAJ-RMKNXTFCSA-N

Properties

• Density: 1.042g/cm³ (Cal.)
• Boiling point: 160-164°C (Expl.)
• Flash point: 145.609°C (Cal.)
• Refractive index: 1.542 (Cal.)

Safety Data

• Safety Description: IRRITANT