2-butylfuran

• ChemBase ID: 87595
• Molecular Formular: C8H12O
• Molecular Mass: 124.18028
• Monoisotopic Mass: 124.088815
• SMILES: o1cccc1CCCC
• Canonical SMILES: CCCCc1ccco1
• InChI: InChI=1S/C8H12O/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3
• InChIKey: NWZIYQNUCXUJJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-butylfuran
• IUPAC Traditional name: 2-butylfuran
• Synonyms: 1-(Fur-2-yl)butane; 2-(But-1-yl)furan 98%; 2-n-BUTYL FURAN; 2-n-Butylfuran; 2-正丁基呋喃

Database IDs

• CAS Number: 4466-24-4
• EC Number: 224-732-7
• MDL Number: MFCD00047071
• Beilstein Number: 107045
• PubChem SID: 162074635
• PubChem CID: 20534

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7247124
• LogD (pH = 7.4): 2.7247124
• Log P: 2.7247124
• Molar Refractivity: 37.4471 cm^3
• Polarizability: 14.481608 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 153°C
• Boiling Point: 153-154°C; 153-154°C
• Flash Point: 32°C; 32°C(89°F)
• Density: 0.886

Safety Information

• Storage Warning: Flammable
• European Hazard Symbols: Flammable (F)
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10; R:10
• Safety Statements: S:9-16-29
• TSCA Listed: 否
• GHS Pictograms: GHS02
• GHS Hazard statements: H226
• GHS Precautionary statements: P261

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05223932

MP Biomedicals Rare Chemical collection