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Key Documents

B11907

Sigma-Aldrich

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

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)

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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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
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
Xia Wu et al.
Journal of fluorescence, 15(5), 655-660 (2005-12-13)
A new quantitative method for micro amounts of nucleic acids in aqueous solution is proposed using Eu3+-benzoylacetone (BA) complex as fluorescent probe in the presence of cetyltrimethyl-ammonium bromide (CTMAB). Under the optimum condition, the ratio of the fluorescence intensities with
Stefan Leitgeb et al.
The FEBS journal, 276(20), 5983-5997 (2009-09-17)
Cupins constitute a large and widespread superfamily of beta-barrel proteins in which a mononuclear metal site is both a conserved feature of the structure and a source of functional diversity. Metal-binding residues are contributed from two core motifs that provide
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%

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