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Merck
CN

00909

Acetylacetone

purum, ≥98.0% (GC)

Synonym(s):

2,4-Pentanedione

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About This Item

Linear Formula:
CH3COCH2COCH3
CAS Number:
Molecular Weight:
100.12
EC Number:
204-634-0
UNSPSC Code:
12190000
MDL number:
Beilstein/REAXYS Number:
741937
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vapor density

3.5 (vs air)

vapor pressure

6 mmHg ( 20 °C)

grade

purum

assay

≥98.0% (GC)

autoignition temp.

662 °F

expl. lim.

11.4 %

refractive index

n20/D 1.452

bp

140.4 °C (lit.)

mp

−23 °C (lit.)

density

0.975 g/mL at 25 °C (lit.)

SMILES string

CC(=O)CC(C)=O

InChI

1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3

InChI key

YRKCREAYFQTBPV-UHFFFAOYSA-N

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General description

Acetylacetone is a β-diketone. It plays the role of chelating ligand and forms organometallic complexes which are used as gasoline additives, lubricant additives, driers for varnishes and printer′s inks, fungicides, insecticides, colors. Acetylacetone is a selective extraction reagent for molybdenum in ferrous materials. A drug complex has been crystallized from acetylacetone. Its X-ray crystal structure determination studies suggests that it contains one molecule of acetylacetone per asymmetric unit in the crystal lattice.

Application

Acetylacetone was used in the preparation of Y203, La203 and La2CuO4 thin films. Acetylacetone was used in the synthesis of the titanate/anatase dual-phase photocatalyst.

Regulatory Information

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Molecular structure of acetylacetone. A crystallographic determination.
Camerman A, et al.
Journal of the American Chemical Society, 105(6), 1584-1586 (1983)
Growth and characterization of thin films of Y203, La203 and La2CuO4.
Gao YM, et al.
Journal of Solid State Chemistry, 90(2), 228-233 (1991)
Analytical Solvent Extraction of Molybenum Using Acetylacetone.
McKaveney JP and Freiser H.
Analytical Chemistry, 29(2), 290-292 (1957)
Nitrogen- sensitized Dual Phase Titanate/Titania for Visible-light Driven Phenol Degradation.
Hua CY, et al.
Journal of Solid State Chemistry, 1962012, 518-527 null
Rolando R Lozada-García et al.
Physical chemistry chemical physics : PCCP, 14(10), 3450-3459 (2012-02-07)
The photochemistry of the chelated enol form of acetylacetone (AcAc) was investigated by UV excitation of the S(2) state at 266 nm in parahydrogen matrices, complemented by experiments in neon and normal hydrogen matrices. Infrared (IR) spectroscopy, combined with theoretical

Global Trade Item Number

SKUGTIN
C73354-100G04061838353320
C73354-25G04061837077302

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