5-Hydroxy-2-(Hydroxymethyl)Pyran-4-One
[CAS# 123712-78-7]

Identification

• Name: 5-Hydroxy-2-(Hydroxymethyl)Pyran-4-One
• Synonyms: 5-Hydroxy-2-(Hydroxymethyl)-4-Pyranone; 5-Hydroxy-2-Methylol-Pyran-4-One; 4H-Pyran-4-One, 5-Hydroxy-2-(Hydroxymethyl)-
• Molecular Formula: C₆H₆O₄
• Molecular Weight: 142.11
• CAS Registry Number: 123712-78-7
• SMILES: C(C1=CC(C(=CO1)O)=O)O
• InChI: 1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
• InChIKey: BEJNERDRQOWKJM-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Melting point: 154°C (Expl.)
• Boiling point: 401.7±45.0°C at 760 mmHg (Cal.)
• Flash point: 179.9±22.2°C (Cal.)

Safety Data

• Safety Code: S36/37
• Risk Code: R40
• Hazard Symbol: X
• Safety Description: WARNING: Irreversible damage risk, protect skin/eyes/lungs.

References

• (1): Chang et al.. Identification of small molecules rescuing fragile X syndrome phenotypes in Drosophila, Nature Chemical Biology, 2008