chempirical

Diacetyl

C4H6O2CAS 431-03-886.09 g/mol

Open in Covalent MOL file
OO
Ketone

Properties

Molecular formula
C4H6O2
Molar mass
86.09 g/mol
Exact mass
86.0368 Da
Density
0.99 g/mL (at 15 °C)
Melting point
−2.4 °C
Boiling point
88 °C
logP
0.16Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
431-03-8
SMILES
CC(=O)C(C)=O
InChIKey
QSJXEFYPDANLFS-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3

Weigh it out

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

Names and synonyms

9 names
  • 2,3-Butanedione
  • Biacetyl
  • 2,3-Diketobutane
  • Dimethyl diketone
  • Dimethylglyoxal
  • Butanedione
  • 2,3-Butadione
  • 2,3-Dioxobutane
  • NSC 8750

Work with Diacetyl

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

3-Methyl-3-buten-2-one814-78-850 % similar 3-Methyl-3-penten-2-one565-62-844 % similar Acetylpropionyl600-14-644 % similar Sodium pyruvate113-24-642 % similar Lithium pyruvate2922-61-442 % similar Potassium pyruvate4151-33-142 % similar Calcium pyruvate52009-14-042 % similar 2,3-Butanedione monoxime57-71-642 % similar

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

Same formula

Crotonic acid107-93-7 Vinyl acetate108-05-4 1,4-Butynediol110-65-6 Diepoxybutane1464-53-5 Cyclopropanecarboxylic acid1759-53-1 Allyl formate1838-59-1 3-Oxotetrahydrofuran22929-52-8 3,6-Dioxabicyclo[3.1.0]hexane285-69-8

Elsewhere

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