B11907
1-Phenyl-1,3-butanedione
99%
Sinónimos:
Benzoylacetone
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About This Item
Fórmula lineal:
C6H5COCH2COCH3
Número de CAS:
Peso molecular:
162.19
Beilstein:
742413
Número CE:
Número MDL:
Código UNSPSC:
12352100
ID de la sustancia en PubChem:
NACRES:
NA.22
Productos recomendados
Nivel de calidad
Ensayo
99%
Formulario
powder
mp
54-56 °C (lit.)
densidad
1.09 g/mL at 25 °C (lit.)
cadena SMILES
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
Clave InChI
CVBUKMMMRLOKQR-UHFFFAOYSA-N
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Código de clase de almacenamiento
11 - Combustible Solids
Clase de riesgo para el agua (WGK)
WGK 3
Punto de inflamabilidad (°F)
Not applicable
Punto de inflamabilidad (°C)
Not applicable
Equipo de protección personal
Eyeshields, Gloves, type N95 (US)
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Arpad Mihai Rostas et al.
Molecules (Basel, Switzerland), 25(17) (2020-08-23)
Complexes with mixed ligands [Cu(N-N)2(pmtp)](ClO4)2 ((1) N-N: 2,2'-bipyridine; (2) L: 1,10-phenanthroline and pmpt: 5-phenyl-7-methyl-1,2,4-triazolo[1,5-a]pyrimidine) were synthesized and structurally and biologically characterized. Compound (1) crystallizes into space group Pa and (2) in P-1. Both complexes display an intermediate stereochemistry between the
Sayyed Faramarz Tayyari et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 66(3), 626-636 (2006-07-25)
Molecular structure and vibrational frequencies of 4,4,4-trifluoro-1-phenyl-1,3-butanedione, known as trifluorobenzoylacetone (TFBA), have been investigated by means of density functional theory (DFT) calculations. The results were compared with those of benzoylacetone (BA), acetylacetone (AA), and trifluoroacetylacetone (TFAA). Comparing the calculated and
Yasuko Yamada Maruo et al.
Analytica chimica acta, 702(2), 247-253 (2011-08-16)
We have developed a portable device for formaldehyde monitoring with both high sensitivity and high temporal resolution, and carried out indoor air formaldehyde concentration analysis. The absorbance difference of the sensor element was measured in the monitoring device at regular
Natalya V Belova et al.
The journal of physical chemistry. A, 116(13), 3428-3435 (2012-03-07)
Tautomeric and structural properties of benzoylacetone, CH(3)-C(O)-CH(2)-C(O)-C(6)H(5), have been studied by gas-phase electron diffraction (GED) and quantum chemical calculations (B3LYP and MP2 approximation with different basis sets up to aug-cc-pVTZ). Analysis of GED intensities resulted in the presence of 100%
Hideyo Matsuzawa et al.
Journal of oleo science, 56(12), 653-658 (2007-11-10)
Through the (1)H and (13)C NMR measurements for the symmetrical beta-diketones such as 2,4-pentanedione and 1,3-diphenyl-1,3-propanedione and unsymmetrical one such as 1-phenyl-1,3-butanedione at various concentrations and temperatures, we confirmed that 1-phenyl-1,3-butanedione in CDCl(3) exists as monomers in its relatively low
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