chempirical

Dibutyl carbonate

C9H18O3CAS 542-52-9174.24 g/mol

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Carbonate

Properties

Molecular formula
C9H18O3
Molar mass
174.24 g/mol
Exact mass
174.1256 Da
Density
0.9237 g/mL (at 20 °C)
Melting point
below 25 °C
Boiling point
170 °C
logP
2.74Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Identifiers

CAS number
542-52-9
SMILES
CCCCOC(=O)OCCCC
InChIKey
QLVWOKQMDLQXNN-UHFFFAOYSA-N
InChI
InChI=1S/C9H18O3/c1-3-5-7-11-9(10)12-8-6-4-2/h3-8H2,1-2H3

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Names and synonyms

5 names
  • Carbonic acid, dibutyl ester
  • n-Butyl carbonate
  • Di-n-butyl carbonate
  • NSC 8462
  • Jeffsol AG 1560

Work with Dibutyl carbonate

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

Dicaprylyl carbonate1680-31-582 % similar Dipropyl carbonate623-96-171 % similar Dibutyl oxalate2050-60-465 % similar Trimethylene carbonate2453-03-465 % similar Poly(trimethylene carbonate)31852-84-365 % similar Butyl acetate123-86-460 % similar Dibutyl succinate141-03-760 % similar Dipropyl peroxydicarbonate16066-38-958 % similar

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

Same formula

9-Hydroxynonanoic acid3788-56-5 Diisobutyl carbonate539-92-4 tert-Butyl peroxypivalate927-07-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook