oxolane

• ChemBase ID: 87353
• Molecular Formular: C4H8O
• Molecular Mass: 72.10572
• Monoisotopic Mass: 72.05751488
• SMILES: O1CCCC1
• Canonical SMILES: C1CCCO1
• InChI: InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2
• InChIKey: WYURNTSHIVDZCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxolane
• IUPAC Traditional name: tetrahydrofuran
• Synonyms: 1,4-Epoxybutane; 1,4-Diethylene oxide; Tetrahydrofuran 99%; Tetrahydrofuran solution; Mobile Phase A for separation of amino acids on ABI® sequencers; Tetrahydrofuran; Tetrahydrofuran, UV, HPLC Grade; Tetrahydrofuran, ACS; Tetrahydrofuran, Spectrophotometric Grade; Tetrahydrofuran, non-UV, HPLC Grade; Tetrahydrofuran, Biograde; tetrahydrofuraF; 1,4-epoxybutanF; butylene oxidF; cyclotetramethylene oxidF; oxacyclopentanF; diethylene oxidF; furanidinF; hydrofuraF; tetra-methylene oxide; TETRAHYDROFURAN (NON UV), HPLC GRADE; TETRAHYDROFURAN, HISTOLOGICAL GRADE; TETRAHYDROFURAN, BIO GRADE; TETRAHYDROFURAN, HPLC/SPECTRO GRADE; TETRAHYDROFURAN, ANHYDROSOLV GRADE; THF; TETRAHYDROFURAN, ACS GRADE; TETRAHYDROFURAN; Tetrahydrofuran solution; Tetrahydrofuran, anhydrous; 四氢呋喃; 四氢呋喃, UV, HPLC级; 四氢呋喃, ACS; 四氢呋喃, 光谱级; 四氢呋喃, non-UV, HPLC级; 四氢呋喃, 生物级; 四氢呋喃, 无水; 无水四氢呋喃

Database IDs

• CAS Number: 109-99-9
• EC Number: 203-726-8
• MDL Number: MFCD00005356
• Beilstein Number: 3668542; 102391
• Merck Index: 149211
• PubChem SID: 24872906; 24885330; 24888892; 24886457; 24864878; 24861598; 24888891; 24880224; 24887305; 24850771; 162074459; 24862173; 24861679; 24860456; 24851228; 24854590; 24888890
• PubChem CID: 8028
• CHEBI ID: 26911
• CHEMBL: 276521
• Chemspider ID: 7737
• Wikipedia Title: Tetrahydrofuran

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.53034693
• LogD (pH = 7.4): 0.53034693
• Log P: 0.53034693
• Molar Refractivity: 20.5535 cm^3
• Polarizability: 8.060449 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Miscible in water
• Apperance: APHA: <10; APHA: <20; APHA: ≤10; APHA: ≤20; APHA: 1; colorless liquid; Liquid; Liquid, distilled in glass
• Melting Point: -108 °C(lit.); -108°C; -108.4°C; -108°C
• Boiling Point: 65-67 °C; 65-67 °C(lit.); 65-67°C; 66°C; 66°C
• Flash Point: 1.4 °F; -14 °C; -17 °C; -17°C; -17°C(1°F)
• Auto Ignition Point: 610 °F
• Density: 0.887 g/mL at 20 °C; 0.889; 0.889 g/mL at 25 °C(lit.); 0.8892 g/cm^3 @ 20 °C, liquid; 0.89; 0.914 g/mL at 25 °C
• Refractive Index: 1.4070; n20/D 1.407; n20/D 1.407(lit.)
• Vapor Pressure: 114 mmHg ( 15 °C); 143 mmHg ( 20 °C)
• Vapor Density: 2.5 (vs air)
• Absorption Wavelength: λ: 212 nm Amax: 1.0; λ: 212 nm Amax: 1.00; λ: 240 nm Amax: 0.3; λ: 245 nm Amax: ≤0.26; λ: 250 nm Amax: 0.18; λ: 250 nm Amax: 0.180; λ: 250 nm Amax: 0.2; λ: 260 nm Amax: 0.1; λ: 275 nm Amax: ≤0.046; λ: 280 nm Amax: 0.03; λ: 300 nm Amax: 0.02; λ: 300 nm Amax: 0.020; λ: 310 nm Amax: 0.003; λ: 315 μm Amax: ≤0.0044; λ: 350-400 nm Amax: 0.005; λ: 350-400 nm Amax: 0.01
• Viscosity: 0.48 cP at 25 °C

Safety Information

• Storage Warning: Highly Flammable/Irritant
• RTECS: LU5950000
• European Hazard Symbols: Flammable (F); Flammable (F); Irritant (Xi); Irritant (Xi); Harmful (Xn)
• UN Number: 2056; UN2056
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-19-36/37; 11-19-36/37-40; 19-36/37; R11, R19, R36/37
• Safety Statements: 13-16-29-33-36-37-46; 16-29-33; 26; S16, S29, S33
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Danger; Warning
• NFPA704:
  

  3

  2

  1
• Explode Limits: 11.8 %
• GHS Hazard statements: H225-H319-H335; H225-H319-H335-H351; H225-H351-H319-H335; H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P261-P281-P305 + P351 + P338; P210-P261-P305 + P351 + P338; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Gloves
• RID/ADR: UN 2056 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99%; ≥99% (GC); ≥99.0%; ≥99.0% (GC); ≥99.5%; ≥99.5% (GC); ≥99.8% (GC); ≥99.9%; ≥99.9% (GC); 99%, stab. with 250-350ppm BHT; 99.7+% min, unstab.; 99.7+%, stab. with 250ppm BHT; 99.7+%, unstab.; 99.8%, unstab.; 99.8+%, stab. with 0.025% BHT; 99.8+%, unstab.; 99+%, stab. with 250ppm BHT
• Grade: absolute; ACS; ACS reagent; analytical standard; anhydrous; biotech. grade; CHROMASOLV® Plus; for HPLC; for luminescence; for UV-spectroscopy; histological grade; HPLC; HPLC grade; JIS special grade; purification grade; puriss.; puriss. p.a.; purum; ReagentPlus®; SAJ first grade; Selectophore™; spectrophotometric grade
• Packaging: packaged under Argon in resealable ChemSeal? bottles
• Suitability: complies for IR spectroscopy; in accordance for luminescence; in accordance for sequence analysis test
• Evaporation Residue: <0.0005%; <0.001%; ≤0.0005%; ≤0.001%; ≤0.03%
• Impurities: <0.002% water; <0.002% water(All units except 100 mL); <0.005% peroxides; <0.005% water(100 mL pkg); <0.02% water; <0.020% water; <0.030% water; <0.05% Water; ≤0.0005% non-volatile matter; ≤0.001% free acid (as CH3COOH); ≤0.001% free acis (as CH3COOH); ≤0.001% non-volatile matter; ≤0.002% free acid (as CH3COOH); ≤0.005% peroxides (as H2O2); ≤0.005% water; ≤0.005% water (Karl Fischer); ≤0.01% peroxides (as H2O2); ≤0.01% water; ≤0.015% peroxide (as H2O2); ≤0.05% peroxides (as H2O2); ≤0.05% water; ≤0.05% water (Karl Fischer); ≤0.1% water (Karl Fischer); ≤0.20% water; ≤20 ppm peroxide (as H2O2); 0.02 meq/g Titr. acid; 0.02 meq/g Titr. base
• Cation Traces: Al: ≤0.5 mg/kg; B: ≤0.02 mg/kg; Ba: ≤0.1 mg/kg; Bi: ≤0.1 mg/kg; Ca: ≤0.5 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.02 mg/kg; Cu: ≤0.02 mg/kg; Fe: ≤0.1 mg/kg; K: ≤0.5 mg/kg; Li: ≤0.1 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Mo: ≤0.1 mg/kg; Na: ≤0.5 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.1 mg/kg; Sn: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• Contains: ~0.025% 2,6-di-tert.-butyl-4-methylphenol as stabilizer; ~0.025% 2,6-di-tert-butyl-4-methylphenol as stabilizer; ~250 mg/L 2,6-di-tert.-butyl-4-methylphenol as stabilizer; <0.025% butylated hydroxytoluene as inhibitor; 20 % (v/v) 1,2-Propanediol; 250 ppm BHT as inhibitor; BHT as stabilizer
• Shelf Life: (limited shelf life, expiry date on the label)
• Purified By: glass distillation
• Quality: dried; over molecular sieve (H2O ≤0.005%)
• λ: 1 cm path, H2O reference; H2O reference
• Does not contain: stabilizer
• abs.: absorption/212 nm ≤1.0; absorption/245 nm ≤0.26; absorption/250 nm ≤0.18; absorption/275 nm ≤0.046; absorption/300 nm ≤0.02; absorption/315 nm ≤0.0044; absorption/350 nm ≤0.005; absorption/400 nm ≤0.005
• Empirical Formula (Hill Notation): C4H8O

DETAILS

Sigma Aldrich - 87369

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1 liter needs to be supplemented by 8-10 mL Premix (79923). In case of coelution of aspartic acid with DTT artifact peak, 100 μl TFA (09653) should be added.
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100, 12×100 mL in Sure/Seal™
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4×4 L in PVC coated
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