(E)-1-(1,3-Benzodioxol-5-Yl)-4-Methylpent-1-En-3-One
[CAS# 2726-44-5]

Identification

• Name: (E)-1-(1,3-Benzodioxol-5-Yl)-4-Methylpent-1-En-3-One
• Synonyms: (E)-1-(1,3-Benzodioxol-5-Yl)-4-Methyl-Pent-1-En-3-One; 1-Penten-3-One, 1-(1,3-Benzodioxol-5-Yl)-4-Methyl-; 1-Penten-3-One, 4-Methyl-1-(3,4-Methylenedioxyphenyl)-
• Molecular Formula: C₁₃H₁₄O₃
• Molecular Weight: 218.25
• CAS Registry Number: 2726-44-5
• SMILES: C2=C1OCOC1=CC=C2\C=C\C(=O)C(C)C
• InChI: 1S/C13H14O3/c1-9(2)11(14)5-3-10-4-6-12-13(7-10)16-8-15-12/h3-7,9H,8H2,1-2H3/b5-3+
• InChIKey: ADEXKEAIUZGTEJ-HWKANZROSA-N

Properties

• Density: 1.157g/cm³ (Cal.)
• Boiling point: 352.098°C at 760 mmHg (Cal.)
• Flash point: 157.996°C (Cal.)