oxolan-2-ol

• ChemBase ID: 171355
• Molecular Formular: C4H8O2
• Molecular Mass: 88.10512
• Monoisotopic Mass: 88.0524295
• SMILES: C1C(OCC1)O
• Canonical SMILES: OC1CCCO1
• InChI: InChI=1S/C4H8O2/c5-4-2-1-3-6-4/h4-5H,1-3H2
• InChIKey: JNODDICFTDYODH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxolan-2-ol
• IUPAC Traditional name: 2-hydroxytetrahydrofuran
• Synonyms: Tetrahydro-2-hydroxyfuran; α-Hydroxytetrahydrofuran; Tetrahydro-2-furanol; 2-Hydroxytetrahydrofuran

Database IDs

• CAS Number: 5371-52-8
• PubChem SID: 164227265
• PubChem CID: 93002

CALCULATED PROPERTIES

• Acid pKa: 12.472778
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.06257855
• LogD (pH = 7.4): -0.06258217
• Log P: -0.06257851
• Molar Refractivity: 21.6938 cm^3
• Polarizability: 8.717666 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ether; Ethyl Acetate; Methanol
• Apperance: Colourless Liquid

Safety Information

• Storage Condition: -20°C Freezer, Under Inert Atmosphere