2-methoxyfuran

• ChemBase ID: 145903
• Molecular Formular: C5H6O2
• Molecular Mass: 98.09994
• Monoisotopic Mass: 98.03677943
• SMILES: COc1ccco1
• Canonical SMILES: COc1ccco1
• InChI: InChI=1S/C5H6O2/c1-6-5-3-2-4-7-5/h2-4H,1H3
• InChIKey: OXCGHDNCMSOEBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxyfuran
• IUPAC Traditional name: 2-methoxyfuran
• Synonyms: 2-Methoxyfuran; 2-Furyl methyl ether; 2-呋甲醚; 2-甲氧基呋喃

Database IDs

• CAS Number: 25414-22-6
• EC Number: 246-953-8
• MDL Number: MFCD00003227
• Beilstein Number: 106270
• PubChem SID: 24848241; 162240103
• PubChem CID: 117476

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.0451111
• LogD (pH = 7.4): 1.0451111
• Log P: 1.0451111
• Molar Refractivity: 24.2879 cm^3
• Polarizability: 9.735085 Å^3
• Polar Surface Area: 22.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 110-111°C
• Flash Point: 10 °C; 10°C(50°F); 50 °F
• Density: 1.065; 1.065 g/mL at 25 °C(lit.)
• Refractive Index: 1.4470; n20/D 1.447(lit.)

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: 1993; UN3271
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11
• Safety Statements: 16-29-33; 9-16-29-33
• TSCA Listed: 否
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H225
• GHS Precautionary statements: P210; P210-P241-P280-P303+P361+P353-P403+P235-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C5H6O2

DETAILS

Sigma Aldrich - 138274

Packaging
5 g in glass bottle

REFERENCES

• Has been used as a Diels-Alder diene in the synthesis of gilvocarin M: J. Am. Chem. Soc., 114, 3568 (1992).