3-(diethoxymethyl)furan

• ChemBase ID: 302428
• Molecular Formular: C9H14O3
• Molecular Mass: 170.20566
• Monoisotopic Mass: 170.09429431
• SMILES: CCOC(c1ccoc1)OCC
• Canonical SMILES: CCOC(c1cocc1)OCC
• InChI: InChI=1S/C9H14O3/c1-3-11-9(12-4-2)8-5-6-10-7-8/h5-7,9H,3-4H2,1-2H3
• InChIKey: MTZMXGCDOYBCPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(diethoxymethyl)furan
• IUPAC Traditional name: 3-(diethoxymethyl)furan
• Synonyms: 3-Furaldehyde diethyl acetal; 3-糠醛 二乙基 乙缩醛

Database IDs

• CAS Number: 216144-29-5
• MDL Number: MFCD01318151

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9817865
• LogD (pH = 7.4): 1.9817865
• Log P: 1.9817865
• Molar Refractivity: 45.4168 cm^3
• Polarizability: 17.791723 Å^3
• Polar Surface Area: 31.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: 1.4440

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22
• Safety Statements: 36
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301
• GHS Precautionary statements: P264-P270-P301+P310-P321-P405-P501A

Product Information

• Purity: 98%