(2E)-3-Methyl-6-Oxo-2-Heptenenitrile
[CAS# 30502-79-5]

Identification

• Name: (2E)-3-Methyl-6-Oxo-2-Heptenenitrile
• Synonyms: (2E)-3-Methyl-6-oxo-2-heptenenitrile; (2E)-3-Méthyl-6-oxo-2-heptènenitrile; (2E)-3-Methyl-6-oxo-2-heptennitril
• Molecular Formula: C₈H₁₁NO
• Molecular Weight: 137.18
• CAS Registry Number: 30502-79-5
• SMILES: C/C(=C\C#N)/CCC(=O)C
• InChI: 1S/C8H11NO/c1-7(5-6-9)3-4-8(2)10/h5H,3-4H2,1-2H3/b7-5+
• InChIKey: MKPOFXDVXSPBAT-FNORWQNLSA-N

Properties

• Density: 0.9±0.1g/cm³ (Cal.)
• Boiling point: 278.9±23.0°C at 760 mmHg (Cal.)
• Flash point: 122.5±22.6°C (Cal.)