1.09600

Acetylacetone

for analysis EMSURE^®

• Synonym(s): ACAC, 2,4-Pentanedione
• Linear Formula: CH₃COCH₂COCH₃
• CAS Number: 123-54-6
• Molecular Weight: 100.12
• Beilstein/REAXYS Number: 741937
• MDL number: MFCD00008787
• UNSPSC Code: 12191502
• EC Index Number: 204-634-0
• NACRES: NA.21

Properties

• vapor density: 3.5 (vs air)
• Quality Level: 300
• vapor pressure: 6 mmHg ( 20 °C)
• product line: EMSURE^®
• assay: ≥99% (GC)
• form: liquid
• autoignition temp.: 662 °F
• potency: 575 mg/kg LD₅₀, oral (Rat)
• expl. lim.: 11.4 %
• impurities: ≤0.3% Water (Karl Fischer); ≤100 ppb Fe (Iron); ≤100 ppb Mg (Magnesium); ≤20 ppb Co (Cobalt); ≤50 ppb Cd (Cadmium); ≤50 ppb Cr (Chromium); ≤50 ppb Cu (Copper); ≤500 ppb Al (Aluminium); ≤500 ppb Ca (Calcium)
• ign. residue: ≤0.005%
• refractive index: n20/D 1.452 (lit.)
• pH: 6 (20 °C, 200 g/L in H₂O)
• bp: 140.4 °C (lit.)
• mp: −23 °C (lit.)
• transition temp: flash point 35 °C
• density: 0.975 g/mL at 25 °C (lit.)
• cation traces: Ni: ≤500 ppb; Pb: ≤500 ppb; Sn: ≤100 ppb; Zn: ≤500 ppb
• storage temp.: 15-25°C
• 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

Description

General description

EMSURE grade solvents are suitable for a broad spectrum of classical lab applications, and are frequently used in regulated and highly demanding lab applications. EMSURE provides worldwide best and most extensive product specifications. We declare our EMSURE range to be in compliance with the ACS, with the reagent part of the European Pharmacopoeia (Reag. Ph Eur) and also with the ISO standards.

Application

• Combination of online hollow fiber liquid phase microextraction with smartphone-based sensing for in situ formaldehyde assay in fabric and wastewater samples.: This study describes a novel application of acetylacetone for detecting formaldehyde in environmental samples using advanced microextraction techniques combined with smartphone-based sensing, highlighting its potential for on-site monitoring and environmental analysis (Javadian et al., 2024).


• Effect of formaldehyde exposure on phytochemical content and functional activity of Agaricus bisporus (Lge.) Sing.: This research investigates the impact of formaldehyde, detected using acetylacetone-based assays, on the phytochemical properties of Agaricus bisporus, illustrating the broader implications of chemical exposure on food quality and safety (Kutluer, 2024).


• Syntheses, structural, photophysical and theoretical studies of heteroleptic cycloplatinated guanidinate(1-) complexes bearing acetylacetonate and picolinate ancillary ligands.: This article presents the synthesis and characterization of new cycloplatinated complexes incorporating acetylacetonate, contributing to the understanding of their structural and electronic properties in potential photophysical applications (Thakur et al., 2024).


• Photodynamic Therapy with Targeted Release of Boron-Dipyrromethene Dye from Cobalt(III) Prodrugs in Red Light.: Research on Cobalt(III) prodrugs, which release therapeutic agents upon activation and utilize acetylacetonate for stabilizing the active compounds, this study explores innovative approaches to targeted cancer therapy (Jana et al., 2024).


• An efficient one-pot and simple multicomponent approach to the synthesis of highly functionalized furans containing dialkyl phenol.: This publication details a novel synthetic route utilizing acetylacetone in the efficient production of furan derivatives, demonstrating its utility in streamlining complex organic syntheses (Milani et al., 2024).

Analysis Note

Purity (GC): ≥ 99.0 %
Identity: passes test
Al (Aluminium): ≤ 500 ppb
Ca (Calcium): ≤ 500 ppb
Cd (Cadmium): ≤ 50 ppb
Co (Cobalt): ≤ 20 ppb
Cr (Chromium): ≤ 50 ppb
Cu (Copper): ≤ 50 ppb
Fe (Iron): ≤ 100 ppb
Mg (Magnesium): ≤ 100 ppb
Ni (Nickel): ≤ 500 ppb
Pb (Lead): ≤ 500 ppb
Sn (Tin): ≤ 100 ppb
Zn (Zinc): ≤ 500 ppb
Residue on ignition: ≤ 0.005 %
Water (according to Karl Fischer): ≤ 0.3 %

Legal Information

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

Safety Information

• pictograms: GHS02,GHS06
• signalword: Danger
• hcodes: H226 - H302 - H311 + H331
• pcodes: P210 - P233 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P311
• Hazard Classifications: Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 3
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 95.0 °F - closed cup
• flash_point_c: 35 °C - closed cup