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B11907

Sigma-Aldrich

1-Phenyl-1,3-butanedione

99%

Synonym(s):

Benzoylacetone

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About This Item

Linear Formula:
C6H5COCH2COCH3
CAS Number:
93-91-4
Molecular Weight:
162.19
Beilstein/REAXYS Number:
742413
EC Number:
202-286-4
MDL number:
MFCD00008786
UNSPSC Code:
12352100
PubChem Substance ID:
24891568
NACRES:
NA.22

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

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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
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
S F Tayyari et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 66(2), 394-404 (2006-07-18)
Molecular structure and vibrational frequencies of 1,3-diphenyl-1,3-propanedione, known as dibenzoylmethane (DBM), have been investigated by means of density functional theory (DFT) calculations. The results were compared with those of benzoylacetone (BA) and acetylacetone (AA), the parent molecule. IR and Raman
Shrabanti Banerjee et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 61(6), 1039-1044 (2005-03-03)
The extraction behaviour of Pr(III) from aqueous nitric acid medium employing benzoylacetone has been studied in presence of two crown ethers, viz., 15-crown-5 and benzo-15-crown-5 in chloroform medium using UV-vis absorption spectroscopy. The binary equilibrium constant (logk(ex)) for the complex
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