1-(furan-2-yl)ethan-1-ol

• ChemBase ID: 85846
• Molecular Formular: C6H8O2
• Molecular Mass: 112.12652
• Monoisotopic Mass: 112.0524295
• SMILES: o1c(ccc1)C(O)C
• Canonical SMILES: CC(c1ccco1)O
• InChI: InChI=1S/C6H8O2/c1-5(7)6-3-2-4-8-6/h2-5,7H,1H3
• InChIKey: UABXUIWIFUZYQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-yl)ethan-1-ol
• IUPAC Traditional name: 2-furanmethanol, α-methyl-
• Synonyms: 1-(2-furyl)ethan-1-ol; (±)-α-Methylfuran-2-methanol; (±)-2-Furyl methyl carbinol; (±)-1-(2-Furyl)ethanol; (±)-α-甲基呋喃-2-甲醇; (±)-2-呋喃基甲基甲醇; (±)-1-(2-呋喃基)乙醇

Database IDs

• CAS Number: 4208-64-4
• EC Number: 224-130-4
• MDL Number: MFCD00077775
• Beilstein Number: 107814
• PubChem SID: 24871794; 162072962
• PubChem CID: 107243

CALCULATED PROPERTIES

• Acid pKa: 13.695033
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.68271774
• LogD (pH = 7.4): 0.6827175
• Log P: 0.68271774
• Molar Refractivity: 29.6836 cm^3
• Polarizability: 11.503074 Å^3
• Polar Surface Area: 33.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 167-170 °C
• Flash Point: 110 °C; 230 °F
• Density: 1.078 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.479

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99.0% (GC)
• Contains: ~0.05% hydroquinone as stabilizer
• Empirical Formula (Hill Notation): C6H8O2

DETAILS

Sigma Aldrich - 48190

Caution
may discolor to brown on storage
Packaging
10 mL in glass bottle