chempirical

Diketene

C4H4O2CAS 674-82-884.07 g/mol

Open in Covalent MOL file
OO
AlkeneEsterLactone

Properties

Molecular formula
C4H4O2
Molar mass
84.07 g/mol
Exact mass
84.0211 Da
Density
1.09 g/mL
Melting point
−6.5 °C
Boiling point
127.4 °C
Flash point
33.9 °C (closed cup)
Water solubility
slightly soluble
logP
0.45Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P317, P370+P378, P403+P235, P501

Identifiers

CAS number
674-82-8
SMILES
C=C1CC(=O)O1
InChIKey
WASQWSOJHCZDFK-UHFFFAOYSA-N
InChI
InChI=1S/C4H4O2/c1-3-2-4(5)6-3/h1-2H2

Weigh it out

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

Names and synonyms

6 names
  • 2-Oxetanone, 4-methylene-
  • 3-Butenoic acid, 3-hydroxy-, β-lactone
  • Ethenone, dimer
  • 4-Methylene-2-oxetanone
  • Ketene dimer
  • NSC 93783

Reactions

Work with Diketene

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

Succinic anhydride108-30-538 % similar Glutaric anhydride108-55-436 % similar Adipic anhydride2035-75-835 % similar Diglycolic anhydride4480-83-535 % similar Dimethyl malonate108-59-833 % similar Propionic anhydride123-62-633 % similar Bromoacetic anhydride13094-51-433 % similar 1,4-Oxathiane-2,6-dione3261-87-833 % similar

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

Same formula

1,2-Cyclobutanedione33689-28-0 2-Furanone497-23-4 Tetrolic acid590-93-2 Methyl propiolate922-67-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia