(2H8)oxolane

• ChemBase ID: 106235
• Molecular Formular: C4H8O
• Molecular Mass: 72.10572
• Monoisotopic Mass: 72.05751488
• SMILES: C1CCOC1
• 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: (^2H₈)oxolane; (^2H₈)oxolane
• IUPAC Traditional name: deuterated thf
• Synonyms: Tetrahydrofuran-d; Deuterated THF; Deuterated tetrahydrofuran; Octadeuterotetrahydrofuran; Tetrahydrofuran-d8; TETRAHYDROFURAN [D8]; 氘代四氢呋喃; 四氢呋喃-d8

Database IDs

• CAS Number: 1693-74-9
• EC Number: 216-898-4
• MDL Number: MFCD00044238
• Beilstein Number: 111854
• PubChem SID: 24856178; 24858697; 24856174; 162094244; 24867392; 24867660; 24851108
• PubChem CID: 80290
• Chemspider ID: 72531
• Wikipedia Title: Deuterated_THF

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

• Apperance: Colourless liquid; Liquid; Liquid in prescored ampoules, 0.75ml/ampoule
• Melting Point: -106 °C(lit.); -106°C; -106°C
• Boiling Point: 65 - 66°C; 65-66 °C(lit.); 66°C
• Flash Point: 1.4 °F; -17 °C; -17 °C; -17°C(-1°F)
• Density: 0.985; 0.985 g/mL at 25 °C(lit.); 985 mg cm^-3
• Refractive Index: n20/D 1.403(lit.)
• Mass Shift: M+8

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 2056; UN2056
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-19-36/37; R11, R19, R36/37
• Safety Statements: 16-29-33; S16, S29, S33
• TSCA Listed: 否
• GHS Pictograms: GHS exclamation mark; GHS flame; GHS02; GHS07; GHS08
• GHS Signal Word: DANGER; Danger
• NFPA704:
  

  3

  2

  0
• GHS Hazard statements: 225, 319, 335; H225-H302-H315-H319-H335-H351; H225-H319-H335; H225-H319-H335-H303-H333
• GHS Precautionary statements: 210, 261, 305+351+338; P210-P243-P403+P233; P210-P261-P281-P305 + P351 + P338; P210-P261-P305 + P351 + P338
• RID/ADR: UN 2056 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

• Purity: 99.5%
• Grade: anhydrous
• Isotopic Purity: 99 atom % D; 99.5 atom % D; 99.95 atom % D
• Packaging: pk of 10 × 1 mL; pk of 5 × 0.5 mL
• Impurities: <50 ppm water
• Contains: 0.03 % (v/v) TMS; 1 % (v/v) TMS
• Mol. Weight: mol wt 80.17
• Empirical Formula (Hill Notation): C4D8O

DETAILS

MP Biomedicals - 02510736

C₄ D₈ O
Purity: 99.5% D atom.

Sigma Aldrich - 184314

Packaging
1, 5, 10 g in ampule

Sigma Aldrich - 365432

Packaging
Packaged in prescored ampules

Sigma Aldrich - 269891

Packaging
1, 5, 10 g in ampule

Sigma Aldrich - 441406

Packaging
5×0.5, 10×0.75, 10×1 mL in ampule

Sigma Aldrich - 437727

Packaging
1, 5, 10 g in ampule