Diisopropyl ether

C6H14OCAS 108-20-3102.18 g/mol

Open in Covalent MOL file
O
Ether

Properties

Molecular formula
C6H14O
Molar mass
102.18 g/mol
Exact mass
102.1045 Da
Density
0.7258 g/mL (at 20 °C)
Melting point
−86.8 °C
Boiling point
68.5 °C
pKa
-4.3 (conjugate acid)
Flash point
-27.8 °C (closed cup)
Water solubility
miscible
logP
1.82Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Harmonised EU classification (CLP Annex VI, index 603-045-00-X[1]), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P319, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
108-20-3
SMILES
CC(C)OC(C)C
InChIKey
ZAFNJMIOTHYJRJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

8 names
  • Propane, 2,2′-oxybis-
  • Isopropyl ether
  • 2,2′-Oxybis[propane]
  • Diisopropyl oxide
  • 2-Isopropoxypropane
  • Bis(isopropyl) ether
  • Di-1-methylethyl ether
  • 2-(Propan-2-yloxy)propane

Work with Diisopropyl ether

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2′,2′′-[Methylidynetris(oxy)]tris[propane]4447-60-367 % similar N,N-Dimethyl-1,1-bis(1-methylethoxy)methanamine18503-89-447 % similar 2-Methoxypropane598-53-843 % similar Triisopropyl phosphite116-17-640 % similar Tetraisopropoxysilane1992-48-940 % similar Germanium(IV) isopropoxide21154-48-340 % similar Triisopropyl borate5419-55-640 % similar Metaldehyde108-62-338 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methyl-1-pentanol105-30-6 4-Methyl-2-pentanol108-11-2 1-Hexanol111-27-3 Di-n-propyl ether111-43-3 (2R)-4-Methylpentan-2-ol16404-54-9 (R)-(-)-2-Hexanol26549-24-6 Pinacolyl alcohol464-07-3 (S)-(+)-2-Hexanol52019-78-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia