1-(1,3-Benzodioxol-5-Yl)-1-Hexen-3-One
[CAS# 56750-94-8]

Identification

• Name: 1-(1,3-Benzodioxol-5-Yl)-1-Hexen-3-One
• Synonyms: 1-Hexen-3-One, 1-(3,4-Methylenedioxyphenyl)-; 1-Hexen-3-One, 1-(1,3-Benzodioxol-5-Yl)- (9Ci); 4-19-00-01764 (Beilstein Handbook Reference)
• Molecular Formula: C₁₃H₁₄O₃
• Molecular Weight: 218.25
• CAS Registry Number: 56750-94-8
• SMILES: C2=C1OCOC1=CC=C2\C=C\C(=O)CCC
• InChI: 1S/C13H14O3/c1-2-3-11(14)6-4-10-5-7-12-13(8-10)16-9-15-12/h4-8H,2-3,9H2,1H3/b6-4+
• InChIKey: JZZYAPMXSFSFKU-GQCTYLIASA-N

Properties

• Density: 1.16g/cm³ (Cal.)
• Boiling point: 359.056°C at 760 mmHg (Cal.)
• Flash point: 162.255°C (Cal.)