Skip to Content
Merck

P7754

Acetylacetone

ReagentPlus®, ≥99%

Synonym(s):

2,4-Pentanedione

Sign In to View Organizational & Contract Pricing.

Select a Size

All Photos(3)

About This Item

Linear Formula:
CH3COCH2COCH3
CAS Number:
123-54-6
Molecular Weight:
100.12
NACRES:
NA.21
PubChem Substance ID:
329820317
eCl@ss:
39021208
UNSPSC Code:
12352115
EC Number:
204-634-0
MDL number:
MFCD00008787
Beilstein/REAXYS Number:
741937
assay:
≥99%
bp:
140.4 °C (lit.)
vapor pressure:
6 mmHg ( 20 °C)

Product Name

Acetylacetone, ReagentPlus®, ≥99%

InChI

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

InChI key

YRKCREAYFQTBPV-UHFFFAOYSA-N

SMILES string

CC(=O)CC(C)=O

vapor density

3.5 (vs air)

vapor pressure

6 mmHg ( 20 °C)

product line

ReagentPlus®

assay

≥99%

form

liquid

autoignition temp.

662 °F

expl. lim.

11.4 %

dilution

(for general lab use)

refractive index

n20/D 1.452 (lit.)

pH

6 (20 °C, 200 g/L)

bp

140.4 °C (lit.)

mp

−23 °C (lit.)

density

0.975 g/mL at 25 °C (lit.)

Quality Level

200

Gene Information

human ... ACHE(43), BCHE(590), CES1(1066)

Looking for similar products? Visit Product Comparison Guide

Related Categories

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

Application

Acetylacetone can be used as:
  • A multifunctional ligand in the synthesis and feasible functionalization of gold nanoparticles (AuNPs).
  • A reactant to synthesize 9,10-dihydroacridines by reacting with methyl acetoacetate and Morita-Baylis-Hillman acetates.
  • A reagent in the synthesis of ZrO2(zirconium dioxide) via hydrolysis of Zr(OC3H7n)4. Acetylacetone controls the hydrolysis and condensation rates of alkoxides and thus, the nucleation and growth rates of oxides.

General description

Acetylacetone (2,4-pentanedione) is an organic compound containing two carbonyl groups and one active methylene group. It is mainly used as an intermediate in the synthesis of various chemical derivatives. It can also be used as a modifier for polyolefins, corrosion inhibitors, and labeling of radiotracers.

Packaging

Packaged in glass bottles

pictograms

FlameSkull and crossbones
GHS02,GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

95.0 °F - closed cup

flash_point_c

35 °C - closed cup

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
SDBB2943
STBL1280
STBK6143
STBK9761
STBK3429

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Giuliano Alagona et al.
Physical chemistry chemical physics : PCCP, 12(35), 10173-10188 (2010-08-03)
The catalytic effect of explicit water molecules on the keto-enol tautomerism in a system of biological interest (enolpyruvate) has been investigated at the B3LYP/6-31++G** level by exploring the potential energy surface in the presence of 1 or 2 water molecules
Ivelina Georgieva et al.
Journal of molecular modeling, 18(6), 2409-2422 (2011-10-13)
Theoretical and spectroscopic studies of a series of monomeric and dimeric complexes formed through the modification of a zirconium butoxide precursor with acetylacetone and subsequent hydrolysis and/or condensation have been performed by applying DFT/B3LYP/6-31++G(d) and highly accurate RI-ADC(2) methods as
Robert M Edkins et al.
Dalton transactions (Cambridge, England : 2003), 40(38), 9672-9678 (2011-07-08)
Herein we report the synthesis and photophysical study of tris-heteroleptic complexes of the general formula IrLL'(acac), where L and L' are two differently substituted 2-phenylpyridines (ppyH) and acacH is 2,4-pentanedione, using a combinatorial approach that could be employed for many
Christopher J Lowe et al.
Journal of drug targeting, 27(9), 1025-1034 (2019-02-21)
Targeted drug delivery is a promising approach to enhance the accumulation of therapies in diseased tissues while limiting off-site effects. Ligand-receptor interactions are traditionally identified to deliver therapies, and although specific, this can be costly and often suffers from limited
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
View All Related Papers

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service