oxolan-2-ylmethanol

• ChemBase ID: 104683
• Molecular Formular: C5H10O2
• Molecular Mass: 102.1317
• Monoisotopic Mass: 102.06807956
• SMILES: OCC1CCCO1
• Canonical SMILES: OCC1CCCO1
• InChI: InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2
• InChIKey: BSYVTEYKTMYBMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxolan-2-ylmethanol
• IUPAC Traditional name: tetrahydrofurfuryl alcohol
• Synonyms: (+/-)-2-(Hydroxymethyl)tetrahydrofuran; (±)-Tetrahydrofurfuryl alcohol; Tetrahydro-2-furanmethanol; Tetrahydrofurfuryl alcohol; TETRAHYDROFURFURYL ALCOHOL; (Tetrahydrofuran-2-yl)methanol; (+/-)-四氢呋喃-2-甲醇; 四氢呋喃甲醇; 四氢糠醇

Database IDs

• CAS Number: 97-99-4
• EC Number: 202-625-6
• MDL Number: MFCD00005372
• Beilstein Number: 102723
• Merck Index: 149213
• PubChem SID: 162091835; 24901453; 24888894; 24851135; 24899950
• PubChem CID: 7360
• FEMA ID: 3056
• Council of Europe Number: 2029
• Flavis Number: 13.02

CALCULATED PROPERTIES

• 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
• 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

PROPERTIES

Physical Property

• Melting Point: <-80°C; -80 °C(lit.)
• Boiling Point: 178 °C at 760 mmHg; 178 °C(lit.); 178°C at 760 mmHg; 178°C
• Flash Point: 167 °F; 75 °C; 75°C(167°F); 83.9 °C (open cup)
• Density: 1.053; 1.054 g/mL at 25 °C(lit.)
• Refractive Index: 1.4520; n20/D 1.452(lit.); n20/D 1.453
• Vapor Pressure: 0.80 mm Hg at 25 °C; 2.3 mmHg ( 39 °C)
• Vapor Density: 3.52 (Air = 1); 3.52 (vs air)
• Organoleptic: vegetable

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate
• Storage Warning: Hygroscopic
• RTECS: LU2450000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36; R:36
• Safety Statements: 39; S:39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• Explode Limits: 9.7 %
• 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, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥98%; ≥98.0% (GC); 95+%; 98%; 99%
• Grade: Kosher; NI; purum
• Empirical Formula (Hill Notation): C5H10O2

DETAILS

MP Biomedicals - 05205743

MP Biomedicals Rare Chemical collection

Sigma Aldrich - W305618

Packaging
1 kg in glass bottle
1 sample in glass bottle
10, 25 kg in poly drum

Sigma Aldrich - T12653

Packaging
1, 3 kg in glass bottle

Sigma Aldrich - 185396

Packaging
1 kg in glass bottle
5, 250 g in glass bottle