(3R)-oxolan-3-ol

• ChemBase ID: 68971
• Molecular Formular: C4H8O2
• Molecular Mass: 88.10512
• Monoisotopic Mass: 88.0524295
• SMILES: O1C[C@@H](CC1)O
• Canonical SMILES: O[C@H]1COCC1
• InChI: InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m1/s1
• InChIKey: XDPCNPCKDGQBAN-SCSAIBSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-oxolan-3-ol
• IUPAC Traditional name: (3R)-oxolan-3-ol
• Synonyms: (3R)-Tetrahydrofuran-3-ol; (3R)-3-Hydroxytetrahydrofuran; (R)-(-)-3-Hydroxytetrahydrofuran; (R)-(-)-Tetrahydro-3-furanol; (R)-(-)-3-Hydroxytetrahydrofuran; (R)-(-)-3-羟基四氢呋喃

Database IDs

• CAS Number: 86087-24-3
• MDL Number: MFCD00067101
• PubChem SID: 162034701; 24858751
• PubChem CID: 641512

CALCULATED PROPERTIES

• Acid pKa: 14.39322
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6173507
• LogD (pH = 7.4): -0.61735076
• Log P: -0.6173507
• Molar Refractivity: 21.8714 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

• Boiling Point: 181 °C(lit.); 181°C; 181°C
• Flash Point: 179.6 °F; 82 °C; 82°C; 82°C(180°F)
• Density: 1.097; 1.097 g/mL at 25 °C(lit.)
• Refractive Index: 1.4500; n20/D 1.45(lit.)
• Optical Rotation: [α]20/D -18°, c = 2.4 in methanol; -18 (c=2.4 in methanol)

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 23-26-37-60; 26-36
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95+%; 98%
• Empirical Formula (Hill Notation): C4H8O2

DETAILS

Sigma Aldrich - 309753

Packaging
1 g in glass bottle
250 mg in glass bottle