chempirical

Diethylene glycol dibutyl ether

C12H26O3CAS 112-73-2218.34 g/mol

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OOO
Ether

Properties

Molecular formula
C12H26O3
Molar mass
218.34 g/mol
Exact mass
218.1882 Da
Density
0.8847 g/mL (at 16 °C)
Melting point
−60 °C
Boiling point
256 °C
logP
2.64Crippen estimate
Polar surface area
27.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
12

Identifiers

CAS number
112-73-2
SMILES
CCCCOCCOCCOCCCC
InChIKey
KZVBBTZJMSWGTK-UHFFFAOYSA-N
InChI
InChI=1S/C12H26O3/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2/h3-12H2,1-2H3

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Names and synonyms

14 names · show all
  • Butane, 1,1′-[oxybis(2,1-ethanediyloxy)]bis-
  • Ether, bis(2-butoxyethyl)
  • 1,1′-[Oxybis(2,1-ethanediyloxy)]bis[butane]
  • Bis(2-butoxyethyl) ether
  • 2,2′-Dibutoxyethyl ether
  • Dibutyl carbitol
  • 5,8,11-Trioxapentadecane
  • 2-Butoxyethyl ether
  • 2-(2-Butoxyethoxy)-1-butoxyethane
  • Butex
  • DBDG
  • Hisolve BDB
  • Butyl diglyme
  • 1-[2-(2-Butoxyethoxy)ethoxy]butane

Work with Diethylene glycol dibutyl 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

Glycol dibutyl ether112-48-1100 % similar 5,8,11,14,17-Pentaoxaheneicosane112-98-1100 % similar Dibutyl ether142-96-193 % similar Pentyl ether693-65-275 % similar Dihexyl ether112-58-371 % similar Octyl ether629-82-371 % similar Deg monobutyl ether112-34-570 % similar Triethylene glycol monobutyl ether143-22-670 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Ethoxyhexanal diethyl acetal101-33-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook