5-Hydroxy-4-methyl-3-heptanone
[CAS# 79314-57-1]

Identification

• Name: 5-Hydroxy-4-methyl-3-heptanone
• Synonyms: heptan-3-one, 5-hydroxy-4-methyl-
• Molecular Formula: C₈H₁₆O₂
• Molecular Weight: 144.21
• CAS Registry Number: 79314-57-1
• SMILES: O=C(CC)C(C)C(O)CC
• InChI: 1S/C8H16O2/c1-4-7(9)6(3)8(10)5-2/h6-7,9H,4-5H2,1-3H3
• InChIKey: GEZUGFBWAPDBGZ-UHFFFAOYSA-N

Properties

• Density: 0.925g/cm³ (Cal.)
• Boiling point: 219.478°C at 760 mmHg (Cal.)
• Flash point: 88.02°C (Cal.)

References

• (1): Björn Bohman, L. R. Cavonius and C. Rikard Unelius. Vegetables as biocatalysts in stereoselective hydrolysis of labile organic compounds, Green Chem., 2009, 11, 1900.