(2R)-oxolan-2-ylmethanol

• ChemBase ID: 151561
• Molecular Formular: C5H10O2
• Molecular Mass: 102.1317
• Monoisotopic Mass: 102.06807956
• SMILES: C1C[C@@H](OC1)CO
• Canonical SMILES: OC[C@H]1CCCO1
• InChI: InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2/t5-/m1/s1
• InChIKey: BSYVTEYKTMYBMK-RXMQYKEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-oxolan-2-ylmethanol
• IUPAC Traditional name: (2R)-oxolan-2-ylmethanol
• Synonyms: (R)-(-)-2-(Hydroxymethyl)tetrahydrofuran; (R)-(-)-Tetrahydrofurfuryl alcohol; (R)-Tetrahydrofuran-2-methanol; (R)-Tetrahydrofurfuryl alcohol; (R)-(-)-四氢呋喃甲醇; (R)-四氢呋喃甲醇; (R)-四氢糠醇

Database IDs

• CAS Number: 22415-59-4
• MDL Number: MFCD03093085
• Beilstein Number: 79846
• PubChem SID: 162245714; 24889173
• PubChem CID: 6931745

CALCULATED PROPERTIES

• Molar Refractivity: 26.516 cm^3
• Polarizability: 10.544464 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 14.677375
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.09998804
• LogD (pH = 7.4): -0.099988066
• Log P: -0.09998804

PROPERTIES

Physical Property

• Boiling Point: 173-175°C; 178 °C(lit.)
• Flash Point: 75°C(167°F)
• Density: 1.053; 1.054 g/mL at 20 °C(lit.)
• Refractive Index: 1.4520
• Optical Rotation: -2.3 (neat)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36
• Safety Statements: 26
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319; H319-H227
• GHS Precautionary statements: P210-P280-P305+P351+P338-P337+P313-P403+P235-P501A; P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥98.0% (sum of enantiomers, GC); 98+%
• Optical Purity: enantiomeric ratio: ≥99:1% (GC)
• Empirical Formula (Hill Notation): C5H10O2

DETAILS

Sigma Aldrich - 89095

Packaging
1 g in glass bottle