Butyl 3-Thioxobutanoate
[CAS# 18457-88-0]

Identification

• Name: Butyl 3-Thioxobutanoate
• Synonyms: Acetoacetic acid, 3-thio-, butyl ester; Butyl 3-thioxobutanoate #
• Molecular Formula: C₈H₁₄O₂S
• Molecular Weight: 174.26
• CAS Registry Number: 18457-88-0
• SMILES: O=C(OCCCC)CC(=S)C
• InChI: 1S/C8H14O2S/c1-3-4-5-10-8(9)6-7(2)11/h3-6H2,1-2H3
• InChIKey: PLBFRICFUGZZIG-UHFFFAOYSA-N

Properties

• Density: 1.031g/cm³ (Cal.)
• Boiling point: 232.516°C at 760 mmHg (Cal.)
• Flash point: 94.423°C (Cal.)
• Refractive index: 1.482 (Cal.)