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Acetylacetone

Acetylacetone
Names IUPAC names
(3Z)-4-Hydroxy-3-penten-2-one (enol form)
Pentane-2,4-dione (keto form)
Other names
  • Hacac
  • 2,4-Pentanedione
  • Acetylacetonic acid
Identifiers
3D model (JSmol)
741937 ChEBI
ChEMBL
ChemSpider
ECHA InfoCard100.004.214EC Number
  • 204-634-0
2537 KEGG
RTECS number
  • SA1925000
UNII
UN number2310
  • InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
    Key: YRKCREAYFQTBPV-UHFFFAOYSA-N
  • InChI=1/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
    Key: YRKCREAYFQTBPV-UHFFFAOYAO
  • O=C(C)CC(=O)C
  • CC(=O)CC(=O)C
  • : CC(O)=CC(=O)C
Properties C5H8O2Molar mass100.117 g·mol Appearance Colorless liquid Density0.975 g/mL Melting point−23 °C (−9 °F; 250 K) Boiling point140 °C (284 °F; 413 K) 16 g/100 mL −54.88×10 cm/molHazards GHS labelling: DangerH226, H302, H311, H320, H331, H335, H341, H370, H412P201, P202, P210, P233, P240, P241, P242, P243, P260, P264, P270, P271, P273, P280, P281, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P307+P311, P308+P313, P311, P312, P321, P322, P330, P337+P313, P361, P363, P370+P378, P403+P233, P403+P235, P405, P501NFPA 704 (fire diamond)
2
2
0
Flash point34 °C (93 °F; 307 K) 340 °C (644 °F; 613 K) Explosive limits2.4–11.6%
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Acetylacetone is an organic compound with the chemical formula CH3−C(=O)−CH2−C(=O)−CH3. It is classified as a 1,3-diketone. It exists in equilibrium with a tautomerCH3−C(=O)−CH=C(−OH)−CH3. The mixture is a colorless liquid. These tautomers interconvert so rapidly under most conditions that they are treated as a single compound in most applications. Acetylacetone is a building block for the synthesis of many coordination complexes as well as heterocyclic compounds.

Wikipedia source