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Acetylacetone

CAS 123-54-6CH3COCH2COCH3Chemical Synthesis

Acetylacetone (CAS 123-54-6), also known as 2,4-Pentanedione, is a beta-diketone with the molecular formula CH3COCH2COCH3. This versatile organic compound serves as a crucial building block in chemical synthesis. Its keto-enol tautomerism allows it to participate in a wide range of reactions, making it valuable in the production of pharmaceuticals, dyes, and heterocyclic compounds. Tech Serve Solutions offers Acetylacetone for laboratory and industrial applications.

IUPAC
2,4-Pentanedione
Synonyms
2,4-PentanedionePentane-2,4-dioneDiacetylmethaneAcetoacetonyl acetateCAS 123-54-6
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Acetylacetone (CH3COCH2COCH3) — chemical structure, CAS 123-54-6; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksC3 to C6Carbonyl CompoundsChemical SynthesisKetones
01 /Applications

Chemical Synthesis Intermediate

Acetylacetone is widely used as a precursor in the synthesis of various organic molecules, including heterocyclic compounds, pyrazoles, and pyrimidines. Its reactive methylene group and diketone structure enable diverse chemical transformations.

Ligand in Coordination Chemistry

It functions as a bidentate ligand, forming stable chelate complexes with numerous metal ions. These metal acetylacetonates find applications as catalysts, in material science, and as precursors for thin film deposition.

Pharmaceutical and Agrochemical Production

Acetylacetone serves as an intermediate in the manufacturing pathways of certain pharmaceuticals and agrochemicals, contributing to the synthesis of active ingredients and complex organic structures.

Dye and Pigment Manufacturing

This compound is employed in the synthesis of specific dyes and pigments, leveraging its chemical reactivity to produce coloured compounds for various industrial uses.

02 /Properties
Molecular weight100.12
Linear formulaCH3COCH2COCH3
Assay≥98.0% (GC)
Gradepurum
Boiling point140.4 °C(lit.)
Density0.975 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.452(lit.)n20/D 1.452
Melting point−23 °C(lit.)
Vapour pressure6 mmHg (20 °C)
Vapour density3.5 (vs air)
Autoignition temp662 °F
Impurities tested≤0.01% ethyl acetate
03 /Safety & handling

Precautionary statements

  • P261Avoid breathing dust, fume, gas or vapours
  • P280Wear protective gloves, clothing and eye/face protection
  • P311Call a POISON CENTER or doctor
Flash point38 °C / 100 °F
Transport (UN / ADR)UN 2310 3/PG 3
Water hazard class (WGK, DE)1
Hazard codes (EU)Xn
Risk statements (R)10-22
Safety statements (S)21-23-24/25

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry
CAS number
123-54-6
MDL number
MFCD00008787
Beilstein registry
741937
05 /Additional specifications
Expl Lim11.4 %
06 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

07 /Frequently asked questions

What is Acetylacetone used for?

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Acetylacetone is primarily used as a versatile building block in chemical synthesis, a ligand in coordination chemistry for metal complexes, and an intermediate in the production of pharmaceuticals, dyes, and agrochemicals.

What are the CAS number and formula for Acetylacetone?

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The CAS number for Acetylacetone is 123-54-6, and its linear formula is CH3COCH2COCH3.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies Acetylacetone with a minimum purity of ≥98.0% (GC) and a grade of purum. We do not represent this product as USP, BP, or EP grade unless explicitly stated in the specifications.

How should Acetylacetone be handled safely?

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Acetylacetone is flammable and harmful if swallowed. It can cause skin and eye irritation. Handle in a well-ventilated area, away from ignition sources, and wear appropriate personal protective equipment (gloves, eye protection). Refer to the Safety Data Sheet (SDS) for detailed handling information.

Is Acetylacetone a controlled substance?

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The provided data does not indicate that Acetylacetone (CAS 123-54-6) is a controlled substance. However, regulations can vary by jurisdiction.

How is Acetylacetone packed, shipped, and exported?

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Acetylacetone is packed and shipped according to relevant transport regulations, including UN 2310, Class 3, Packing Group III. Tech Serve Solutions is experienced in global export procedures.

How can I request a quote or sample of Acetylacetone?

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To request a quote or sample of Acetylacetone, please contact our sales team through the website or by phone, providing your specific requirements.

Need Acetylacetone in a specific grade or volume?