Benzoylacetone

Benzoylacetone
Names
	IUPAC name 1-phenylbutane-1,3-dione
Identifiers
CAS Number	93-91-4;
3D model (JSmol)	Interactive image;
ChEMBL	ChEMBL3186793;
ChemSpider	6898;
ECHA InfoCard	100.002.080
EC Number	202-286-4;
PubChem CID	7166;
UNII	I3RUV8U115;
CompTox Dashboard (EPA)	DTXSID3021803 ;
	InChI InChI=1S/C10H10O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3 Key: CVBUKMMMRLOKQR-UHFFFAOYSA-N;
	SMILES CC(=O)CC(=O)C1=CC=CC=C1;
Properties
Chemical formula	C10H10O2
Molar mass	162.188 g·mol−1
Density	1.0599 g/cm3
Melting point	56 °C (133 °F; 329 K)
Boiling point	261.5 °C (502.7 °F; 534.6 K)
Hazards
	GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H315, H319, H335
Precautionary statements	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Benzoylacetone is the organic compound with the nominal formula C₆H₅C(O)CH₂C(O)CH₃. As a 1,3-dicarbonyl, it is a precursor to many heterocycles, such as pyrazoles.^[1] It exists predominantly as the enol tautomer C₆H₅C(OH)=CHC(O)CH₃.^[2] Its conjugate base (pK_a=8.7) forms stable complexes with transition metals and lanthanides.^[3]

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Benzoylacetone

References

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