2-methyloxolane

• ChemBase ID: 88780
• Molecular Formular: C5H10O
• Molecular Mass: 86.1323
• Monoisotopic Mass: 86.07316494
• SMILES: O1CCCC1C
• Canonical SMILES: CC1CCCO1
• InChI: InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3
• InChIKey: JWUJQDFVADABEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyloxolane
• IUPAC Traditional name: 2-methyltetrahydrofuran
• Synonyms: 2-Methyltetrahydrofuran 99%; Tetrahydrosylvan; 2-Methyltetrahydrofuran; 2-MeTHF; Tetrahydro-2-methylfuran; Tetrahydrosilvan; 2-Methyltetrahydrofuran; 2-甲基四喃; 四氢-2-甲基呋喃; 2-甲基四氢呋喃

Database IDs

• CAS Number: 96-47-9
• EC Number: 202-507-4
• MDL Number: MFCD00005367
• Beilstein Number: 102448
• PubChem SID: 24885152; 24888362; 162075687; 24885904; 24865929; 24849570
• PubChem CID: 7301
• Chemspider ID: 7028
• Wikipedia Title: 2-Methyltetrahydrofuran

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.94692194
• LogD (pH = 7.4): 0.94692194
• Log P: 0.94692194
• Molar Refractivity: 24.9723 cm^3
• Polarizability: 9.900833 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -136°C; -136°C
• Boiling Point: 78-80 °C(lit.); 78-82°C; 80.3°C; 80-82°C
• Flash Point: 10.4 °F; -11°C; -11°C(12°F); -12 °C
• Density: 0.854 g/mL; 0.856; 0.86 g/mL at 25 °C(lit.)
• Refractive Index: 1.406; 1.4060; n20/D 1.406; n20/D 1.406(lit.)

Safety Information

• Storage Warning: Highly Flammable/Irritant
• RTECS: LU2800000
• European Hazard Symbols: Flammable (F)
• UN Number: 2536; UN2536
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-19
• Safety Statements: 9-16-33-60
• TSCA Listed: 是
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H225; H225-H313
• GHS Precautionary statements: P210; P210-P241-P280-P240-P303+P361+P353-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2536 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Purity: ≥97.0% (GC); ≥99%; ≥99.0%; ≥99.5%; ≥99.5% (GC); 97%; 99%, stab. with ca 150-400ppm BHT
• Grade: analytical standard; anhydrous; purum; ReagentPlus®
• Evaporation Residue: <0.0003%; ≤0.0003%
• Impurities: <0.002% water; <0.005% water(100 mL pkg); ≤0.002% water; ≤0.005% water(100 mL pkg); ≤1.0% water( (coulometr.)); ≤100 ppm peroxide (as H2O2)
• Contains: ~0.025% 2,6-di-tert-butyl-4-methylphenol as stabilizer; 150-400 ppm BHT as stabilizer; 250 ppm BHT as stabilizer
• Shelf Life: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C5H10O

DETAILS

Apollo Scientific Ltd - OR42160

Stabilised with ca 150-400ppm BHT

Sigma Aldrich - 155810

包装
100, 500 mL in glass bottle
20 L in steel drum
4×4 L in glass bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 673277

Packaging
1, 2 L in Sure/Seal™
100, 12×100 mL in Sure/Seal™
200 L in Pure-Pac™ 2

Sigma Aldrich - 414247

Other Notes
Pure-Pac® II containers require the Micromatic MacroValve coupler for dispensing solvents, Z560723.
Packaging
1, 6×1, 2, 4×2 L in Sure/Seal™
View returnable container options.
100 mL in Sure/Seal™
200 L in Pure-Pac™ 2
Legal Information
Pure-Pac is a registered trademark of Sigma-Aldrich Co. LLC

REFERENCES

• Cryosolvent. Has been proposed as a chlorine-free alternative solvent to dichloromethane in two-phase, including acylation and phase transfer alkylation, reactions. The water-saturated system (ca 39 mL/L) is more polar than the dry solvent, and it forms a useful azeotrope with water (ca 9 : 1), facilitating drying: Synlett, 2353 (2003).