Isobutyroin
[CAS# 815-77-0]

Identification

• Name: Isobutyroin
• Synonyms: 4-Hydroxy-2,5-Dimethyl-Hexan-3-One; 2,5-Dimethyl-4-Hydroxy-3-Hexanone; 4-Hydroxy-2,5-Dimethyl-3-Hexanone
• Molecular Formula: C₈H₁₆O₂
• Molecular Weight: 144.21
• CAS Registry Number: 815-77-0
• SMILES: CC(C(C(C(C)C)=O)O)C
• InChI: 1S/C8H16O2/c1-5(2)7(9)8(10)6(3)4/h5-7,9H,1-4H3
• InChIKey: SMYRRYXXNJLYLY-UHFFFAOYSA-N

Properties

• Density: 0.922g/cm³ (Cal.)
• Boiling point: 182.138°C at 760 mmHg (Cal.)
• Flash point: 69.082°C (Cal.)