(5-methylfuran-2-yl)methanol

• ChemBase ID: 87047
• Molecular Formular: C6H8O2
• Molecular Mass: 112.12652
• Monoisotopic Mass: 112.0524295
• SMILES: o1c(ccc1CO)C
• Canonical SMILES: Cc1ccc(o1)CO
• InChI: InChI=1S/C6H8O2/c1-5-2-3-6(4-7)8-5/h2-3,7H,4H2,1H3
• InChIKey: VOZFDEJGHQWZHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-methylfuran-2-yl)methanol
• IUPAC Traditional name: (5-methylfuran-2-yl)methanol
• Synonyms: (5-Methylfur-2-yl)methanol; 5-Methylfurfuryl alcohol; 2-(Hydroxymethyl)-5-methylfuran; (5-Methyl-furan-2-yl)-methanol; 2-Hydroxymethyl-5-methyl-furan; 5-Methyl-2-furyl)methanol; 5-Methyl-2-furanmethanol

Database IDs

• CAS Number: 3857-25-8
• MDL Number: MFCD00130134
• PubChem SID: 162074163
• PubChem CID: 520911

CALCULATED PROPERTIES

• Acid pKa: 13.823717
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.46570402
• LogD (pH = 7.4): 0.46570385
• Log P: 0.46570402
• Molar Refractivity: 30.4145 cm^3
• Polarizability: 11.4302025 Å^3
• Polar Surface Area: 33.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate
• Apperance: Colorless to Pale Yellow Liquid
• Boiling Point: 80°C/15Torr
• Density: 1.077

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: Toxic/Harmful/Keep Cold