3-Hydroxy-4,4-Dimethyloxolan-2-One
[CAS# 52126-90-6]

Identification

• Name: 3-Hydroxy-4,4-Dimethyloxolan-2-One
• Synonyms: 3-Hydroxy-4,4-Dimethyl-Tetrahydrofuran-2-One; 3-Hydroxy-4,4-Dimethyl-2-Tetrahydrofuranone; 3-Hydroxy-4,4-Dimethyl-Oxolan-2-One
• Molecular Formula: C₆H₁₀O₃
• Molecular Weight: 130.14
• CAS Registry Number: 52126-90-6
• SMILES: CC1(C(C(OC1)=O)O)C
• InChI: 1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3
• InChIKey: SERHXTVXHNVDKA-UHFFFAOYSA-N

Properties

• Density: 1.166g/cm³ (Cal.)
• Melting point: 78°C (Expl.)
• Boiling point: 224.61°C at 760 mmHg (Cal.)
• Flash point: 98.957°C (Cal.)

References

• (1): Manfred T. Reetz and Carsten J. Rüggeberg. A screening system for enantioselective enzymes based on differential cell growth, Chem. Commun., 2002, 0, 1428.