2-(furan-2-yl)-1,3-dioxolane

• ChemBase ID: 144252
• Molecular Formular: C7H8O3
• Molecular Mass: 140.13662
• Monoisotopic Mass: 140.04734412
• SMILES: c1cc(oc1)C1OCCO1
• Canonical SMILES: C1COC(O1)c1ccco1
• InChI: InChI=1S/C7H8O3/c1-2-6(8-3-1)7-9-4-5-10-7/h1-3,7H,4-5H2
• InChIKey: FCACHSUJEMZCMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-yl)-1,3-dioxolane
• IUPAC Traditional name: 2-(furan-2-yl)-1,3-dioxolane
• Synonyms: 2-(1,3-Dioxolan-2-yl)furan; 2-Furfural ethylene glycol acetal; Furfural ethylene acetal; 2-(2-Furyl)-1,3-dioxolane; 2-(1,3-DIOXOLAN-2-YL)FURAN

Database IDs

• CAS Number: 1708-41-4
• MDL Number: MFCD00671520
• Beilstein Number: 121450
• PubChem SID: 162238468
• PubChem CID: 263158

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0166469
• LogD (pH = 7.4): 1.0166469
• Log P: 1.0166469
• Molar Refractivity: 33.8281 cm^3
• Polarizability: 13.422206 Å^3
• Polar Surface Area: 31.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Storage Temperature: -20°C

Product Information

• Purity: ≥97.5% (GC); 98%
• Empirical Formula (Hill Notation): C7H8O3