2-propylfuran

• ChemBase ID: 87593
• Molecular Formular: C7H10O
• Molecular Mass: 110.1537
• Monoisotopic Mass: 110.07316494
• SMILES: o1c(ccc1)CCC
• Canonical SMILES: CCCc1ccco1
• InChI: InChI=1S/C7H10O/c1-2-4-7-5-3-6-8-7/h3,5-6H,2,4H2,1H3
• InChIKey: CPLJMYOQYRCCBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-propylfuran
• IUPAC Traditional name: furan, 2-propyl-
• Synonyms: 2-n-Propylfuran; 2-n-PROPYL FURAN; 2-Propylfuran 99%; 2-正丙基呋喃

Database IDs

• CAS Number: 4229-91-8
• EC Number: 224-182-8
• MDL Number: MFCD00047070
• PubChem SID: 162074633
• PubChem CID: 77907

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2801437
• LogD (pH = 7.4): 2.2801437
• Log P: 2.2801437
• Molar Refractivity: 32.8461 cm^3
• Polarizability: 12.6378565 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 110-111°C; 114-115°C
• Flash Point: 24°C(75°F)
• Density: 0.891

Safety Information

• Storage Warning: Flammable
• UN Number: UN3271
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS02
• GHS Hazard statements: H226
• GHS Precautionary statements: P210-P241-P280-P303+P361+P353-P403+P235-P501A

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 05225539

MP Biomedicals Rare Chemical collection