2-(oxolan-2-ylmethoxy)oxane; 3-(oxolan-2-ylmethoxy)oxane

• ChemBase ID: 149020
• Molecular Formular: C20H36O6
• Molecular Mass: 372.49624
• Monoisotopic Mass: 372.25118887
• SMILES: C1CCOC(C1)OCC1CCCO1.C1CC(COC1)OCC1CCCO1
• Canonical SMILES: C1CCC(OC1)OCC1CCCO1.C1CCC(CO1)OCC1CCCO1
• InChI: InChI=1S/2C10H18O3/c1-3-9(7-11-5-1)13-8-10-4-2-6-12-10;1-2-6-12-10(5-1)13-8-9-4-3-7-11-9/h2*9-10H,1-8H2
• InChIKey: OMNURHQDSBSXKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(oxolan-2-ylmethoxy)oxane; 3-(oxolan-2-ylmethoxy)oxane
• IUPAC Traditional name: 2-(oxolan-2-ylmethoxy)oxane; 3-(oxolan-2-ylmethoxy)oxane
• Synonyms: ‘T-Solvent’; 2(3)-(Tetrahydrofurfuryloxy)tetrahydropyran; 2(3)-(四氢糠基氧)四氢吡喃; 2(3)-(四氢糠氧基)四氢吡喃

Database IDs

• CAS Number: 710-14-5
• EC Number: 211-917-2
• MDL Number: MFCD00198008
• Beilstein Number: 109779
• PubChem SID: 162243189
• PubChem CID: 71311378

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4437057
• LogD (pH = 7.4): 1.4437057
• Log P: 1.4437057
• Molar Refractivity: 49.3007 cm^3
• Polarizability: 19.785938 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 208.4 °F; 98 °C
• Density: 1.03 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.461(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C10H18O3

DETAILS

Sigma Aldrich - T12807

Packaging
25, 100 g in glass bottle