Diethyl (1-Oxobutyl)Succinate
[CAS# 41117-77-5]

Identification

• Name: Diethyl (1-Oxobutyl)Succinate
• Synonyms: 2-(1-Oxobutyl)Butanedioic Acid Diethyl Ester; 2-Butyrylsuccinic Acid Diethyl Ester; Butanedioic Acid, (1-Oxobutyl)-, Diethyl Ester
• Molecular Formula: C₁₂H₂₀O₅
• Molecular Weight: 244.29
• CAS Registry Number: 41117-77-5
• EINECS: 255-225-9
• SMILES: C(OC(=O)CC(C(=O)OCC)C(=O)CCC)C
• InChI: 1S/C12H20O5/c1-4-7-10(13)9(12(15)17-6-3)8-11(14)16-5-2/h9H,4-8H2,1-3H3
• InChIKey: CZWWKAPYGDDMPF-UHFFFAOYSA-N

Properties

• Density: 1.057g/cm³ (Cal.)
• Boiling point: 327.292°C at 760 mmHg (Cal.)
• Flash point: 140.727°C (Cal.)

References

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