3-Oxo-Butanoic Acid Ethyl Ester Sodium (1:1)
[CAS# 20412-62-8]

Identification

• Classification: Chemical reagent >> Organic reagent >> Ester >> Other ester compounds
• Name: 3-Oxo-Butanoic Acid Ethyl Ester Sodium (1:1)
• Synonyms: Sodium Ethyl 3-Oxobutanoate; Sodium 1-Ethoxy-3-Oxobut-1-En-1-Olate; Sodium (E)-1-Ethoxy-3-Oxobut-1-En-1-Olate
• Molecular Formula: C₆H₉NaO₃
• Molecular Weight: 152.13
• CAS Registry Number: 20412-62-8
• SMILES: C(OC([CH-]C(C)=O)=O)C.[Na+]
• InChI: 1S/C6H9O3.Na/c1-3-9-6(8)4-5(2)7;/h4H,3H2,1-2H3;/q-1;+1
• InChIKey: ZMGRMOMYXWGAAE-UHFFFAOYSA-N

Properties

• Boiling point: 180.6°C at 760 mmHg (Cal.)
• Flash point: 67°C (Cal.)