Ethyl 3-Methyl-4-Oxoheptanoate
[CAS# 67893-05-4]

Identification

• Name: Ethyl 3-Methyl-4-Oxoheptanoate
• Synonyms: Ethyl 3-Methyl-4-Oxo-Heptanoate; 3-Methyl-4-Oxoheptanoic Acid Ethyl Ester; 4-Keto-3-Methyl-Enanthic Acid Ethyl Ester
• Molecular Formula: C₁₀H₁₈O₃
• Molecular Weight: 186.25
• CAS Registry Number: 67893-05-4
• EINECS: 267-608-8
• SMILES: C(OC(=O)CC(C)C(=O)CCC)C
• InChI: 1S/C10H18O3/c1-4-6-9(11)8(3)7-10(12)13-5-2/h8H,4-7H2,1-3H3
• InChIKey: DXRJGHNIYCEKBM-UHFFFAOYSA-N

Properties

• Density: 0.957g/cm³ (Cal.)
• Boiling point: 253.065°C at 760 mmHg (Cal.)
• Flash point: 103.887°C (Cal.)

References

• (1): Chudasama et al.. Hydroacylation of alpha,beta-unsaturated esters via aerobic C-H activation, Nature Chemistry, 2010