B11907
1-Phenyl-1,3-butanedione
99%
Synonym(s):
Benzoylacetone
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About This Item
Linear Formula:
C6H5COCH2COCH3
CAS Number:
Molecular Weight:
162.19
Beilstein:
742413
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay
99%
form
powder
mp
54-56 °C (lit.)
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
Certificates of Analysis (COA)
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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
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
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
Linbo Xia et al.
Analytical chemistry, 76(10), 2910-2915 (2004-05-18)
A new method of single-drop microextraction combined with low-temperature electrothermal vaporization (LTETV)-ICPMS was proposed for the determination of trace Be, Co, Pd, and Cd with benzoylacetone (BZA) as both extractant and chemical modifier. Several factors that influence the microextraction efficiency
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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