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12830

Sigma-Aldrich

1-Phenyl-1,3-butanedione

purum, ≥98.0% (GC)

Synonym(s):

Benzoylacetone

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About This Item

Linear Formula:
C6H5COCH2COCH3
CAS Number:
93-91-4
Molecular Weight:
162.19
Beilstein:
742413
EC Number:
202-286-4
MDL number:
MFCD00008786
UNSPSC Code:
12352100
PubChem Substance ID:
329749888

grade

purum

Assay

≥98.0% (GC)

mp

54-56 °C (lit.)
54-56 °C

density

1.09 g/mL at 25 °C (lit.)

SMILES string

CC(=O)CC(=O)c1ccccc1

InChI

1S/C10H10O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3

InChI key

CVBUKMMMRLOKQR-UHFFFAOYSA-N

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Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Polymer-supported quenching reagents for parallel purification.
Booth RJ and Hodges JC.
Journal of the American Chemical Society, 119(21), 4882-4886 (1997)
Hamid Abdollahi et al.
Langmuir : the ACS journal of surfaces and colloids, 23(5), 2362-2368 (2007-01-26)
The keto-enol equilibria of benzoylacetone (BZA) as a model for 1,3-dicarbonyl compounds are studied in aqueous acid and cationic micellar solution. Evolving factor analysis (EFA), multivariate curve resolution-alternating least-squares (MCR-ALS), and rank annihilation factor analysis (RAFA) are used for complete
Luminescence and quantum yields of Eu3+ mixed complexes with 1-phenyl-1, 3-butanedione and 1, 10-phenanthroline or 1, 10-phenanthroline-N-oxide.
Junior SA, et al.
Journal of Luminescence, 72, 478-480 (1997)
The crystal and molecular structure of the enol form of 1-phenyl-1, 3-butanedione (benzoylacetone) by neutron diffraction.
Jones RDG.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials, 32(7), 2133-2136 (1976)
Reactions of 2-amino-2-deoxy-D-glucose with benzoylacet-aldehyde and 1-phenyl-1, 3-butanedione.
Sanchez AG, et al.
Carbohydrate Research, 3(4), 486-501 (1967)
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