(E)-5-Methylhex-3-En-2-One
[CAS# 1821-29-0]

Identification

• Name: (E)-5-Methylhex-3-En-2-One
• Synonyms: 5-Methylhex-3-En-2-One; 187607_Aldrich; 3-Hexen-2-One, 5-Methyl-, Trans
• Molecular Formula: C₇H₁₂O
• Molecular Weight: 112.17
• CAS Registry Number: 1821-29-0
• SMILES: CC(\C=C\C(C)=O)C
• InChI: 1S/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3/b5-4+
• InChIKey: IYMKNYVCXUEFJE-SNAWJCMRSA-N

Properties

• Density: 0.83g/cm³ (Cal.)
• Boiling point: 150.674°C at 760 mmHg (Cal.)
• Flash point: 47.778°C (Cal.)
• Refractive index: 1.44 (Expl.)

Safety Data

• Safety Description: Danger: Flammable, Poison, irritates skin and eyes.