1-(furan-2-yl)propan-1-one

• ChemBase ID: 112539
• Molecular Formular: C7H8O2
• Molecular Mass: 124.13722
• Monoisotopic Mass: 124.0524295
• SMILES: CCC(=O)c1ccco1
• Canonical SMILES: CCC(=O)c1ccco1
• InChI: InChI=1S/C7H8O2/c1-2-6(8)7-4-3-5-9-7/h3-5H,2H2,1H3
• InChIKey: HCPORNAVHSWTOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-yl)propan-1-one
• IUPAC Traditional name: 1-propanone, 1-(2-furanyl)-
• Synonyms: ETHYL FURYL KETONE; Ethyl 2-furyl ketone; 1-(2-Furyl)-1-propanone; 2-Propionylfuran; 2-丙酰呋喃

Database IDs

• CAS Number: 3194-15-8
• EC Number: 221-693-8
• MDL Number: MFCD00020936
• PubChem SID: 162097346
• PubChem CID: 76662

CALCULATED PROPERTIES

• Acid pKa: 14.956263
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2916758
• LogD (pH = 7.4): 1.2916758
• Log P: 1.2916758
• Molar Refractivity: 33.4786 cm^3
• Polarizability: 12.786506 Å^3
• Polar Surface Area: 30.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 26-30°C
• Boiling Point: 53-55°C/1mm

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36
• Safety Statements: 26-36
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H319
• GHS Precautionary statements: P280F-P305+P351+P338

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05224566

MP Biomedicals Rare Chemical collection