3-Oxo-Butanoic Acid 2-[(1,3-Dioxobutoxy)Methyl]-2-Ethyl-1,3-Propandiyl Ester
[CAS# 22208-25-9]

Identification

• Name: 3-Oxo-Butanoic Acid 2-[(1,3-Dioxobutoxy)Methyl]-2-Ethyl-1,3-Propandiyl Ester
• Synonyms: 3-Oxobutanoic Acid 2,2-Bis(1,3-Dioxobutoxymethyl)Butyl Ester; 3-Ketobutyric Acid 2,2-Bis(Acetoacetyloxymethyl)Butyl Ester; 1,3-Propanediol, 2-Ethyl-2-(Hydroxymethyl)-, Triacetoacetate
• Molecular Formula: C₁₈H₂₆O₉
• Molecular Weight: 386.40
• CAS Registry Number: 22208-25-9
• SMILES: C(C(COC(CC(C)=O)=O)(CC)COC(CC(C)=O)=O)OC(CC(C)=O)=O
• InChI: 1S/C18H26O9/c1-5-18(9-25-15(22)6-12(2)19,10-26-16(23)7-13(3)20)11-27-17(24)8-14(4)21/h5-11H2,1-4H3
• InChIKey: VRWWRSQIOZLGAM-UHFFFAOYSA-N

Properties

• Density: 1.18g/cm³ (Cal.)
• Boiling point: 511.318°C at 760 mmHg (Cal.)
• Flash point: 221.859°C (Cal.)