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05581

Supelco

Acetylacetone

analytical standard

Synonym(s):

2,4-Pentanedione

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About This Item

Linear Formula:
CH3COCH2COCH3
CAS Number:
Molecular Weight:
100.12
Beilstein/REAXYS Number:
741937
EC Number:
MDL number:
UNSPSC Code:
41116107
eCl@ss:
39021208
PubChem Substance ID:
NACRES:
NA.24

grade

analytical standard

Quality Level

vapor density

3.5 (vs air)

vapor pressure

6 mmHg ( 20 °C)

assay

≥99.6% (GC)

autoignition temp.

662 °F

shelf life

limited shelf life, expiry date on the label

expl. lim.

11.4 %

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.452 (lit.)
n20/D 1.452

bp

140.4 °C (lit.)

mp

−23 °C (lit.)

solubility

H2O: soluble

density

0.975 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

format

neat

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, which contains two carbonyl groups and one active methylene group.

Application

Acetylacetone has been used as a volatile eluent modifier to remediate the detrimental impacts of metal cations during the quantification of energy metabolites by ultrahigh pressure-liquid chromatography-electrospray-tandem mass spectrometry (UHPLC-ESI-MS). It has also been used as a derivatization agent for aldehydes.(3

pictograms

FlameSkull and crossbones

signalword

Danger

Hazard Classifications

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

wgk_germany

WGK 1

flash_point_f

closed cup

flash_point_c

closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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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Controlling detrimental effects of metal cations in the quantification of energy metabolites via ultrahigh pressure-liquid chromatography-electrospray-tandem mass spectrometry by employing acetylacetone as a volatile eluent modifier
Siegel D, et al.
Journal of Chromatography A, 1294(2), 87-97 (2013)
2, 4-pentanedione
Ballantyne B
Journal of Applied Toxicology, 21(2), 165-171 (2001)
Automatized flow-batch method for fluorescent determination of free glycerol in biodiesel samples using on-line extraction
Lima MB, et al.
Talanta, 89(2), 21-26 (2012)
Liquid-phase microextraction with in-drop derivatization combined with microvolume fluorospectrometry for free and hydrolyzed formaldehyde determination in textile samples
Saenz M, et al.
Analytica Chimica Acta, 687(1), 50-55 (2011)
Zhenkun Sun et al.
Journal of the American Chemical Society, 134(42), 17653-17660 (2012-10-02)
The organization of different nano objects with tunable sizes, morphologies, and functions into integrated nanostructures is critical to the development of novel nanosystems that display high performances in sensing, catalysis, and so on. Herein, using acetylacetone as a chelating agent

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