4-Acetyl-2-Sec-Butyl-5-Hydroxy-1,2-Dihydro-3H-Pyrrol-3-One
[CAS# 1013-59-8]

Identification

• Name: 4-Acetyl-2-Sec-Butyl-5-Hydroxy-1,2-Dihydro-3H-Pyrrol-3-One
• Synonyms: 2H-Pyrrol-2-one, 3-acetyl-1,5-dihydro-4-hydroxy-5-(1-methylpropyl)-, (S-(R*,R*))- (9CI); o-Bromobenzoic acid, methyl ester; Tenuazonic Acid
• Molecular Formula: C₁₀H₁₅NO₃
• Molecular Weight: 197.23
• CAS Registry Number: 1013-59-8
• SMILES: O=C1C(\C(=O)C)=C(\O)NC1C(C)CC
• InChI: 1S/C10H15NO3/c1-4-5(2)8-9(13)7(6(3)12)10(14)11-8/h5,8,11,14H,4H2,1-3H3
• InChIKey: MUEHIVGVGRFSSL-UHFFFAOYSA-N

Properties

• Density: 1.178g/cm³ (Cal.)
• Boiling point: 326.996°C at 760 mmHg (Cal.)
• Flash point: 151.562°C (Cal.)
• Refractive index: 1.519 (Cal.)