1-[2-Chloro-4,5-(Methylenedioxy)Phenyl]-4-Methyl-1-Penten-3-One
[CAS# 58344-72-2]

Identification

• Name: 1-[2-Chloro-4,5-(Methylenedioxy)Phenyl]-4-Methyl-1-Penten-3-One
• Synonyms: (E)-1-(6-Chloro-1,3-Benzodioxol-5-Yl)-4-Methyl-Pent-1-En-3-One; 1-(2-Chloro-4,5-Methylenedioxyphenyl)-4-Methyl-1-Penten-3-One; 1-Penten-3-One, 1-(2-Chloro-4,5-Methylenedioxyphenyl)-4-Methyl-
• Molecular Formula: C₁₃H₁₃ClO₃
• Molecular Weight: 252.70
• CAS Registry Number: 58344-72-2
• SMILES: C2=C1OCOC1=CC(=C2\C=C\C(=O)C(C)C)Cl
• InChI: 1S/C13H13ClO3/c1-8(2)11(15)4-3-9-5-12-13(6-10(9)14)17-7-16-12/h3-6,8H,7H2,1-2H3/b4-3+
• InChIKey: PYSBCKVQJBTGFL-ONEGZZNKSA-N

Properties

• Density: 1.26g/cm³ (Cal.)
• Boiling point: 385.764°C at 760 mmHg (Cal.)
• Flash point: 160.29°C (Cal.)