Cas no 3002-24-2 (Hexane-2,4-dione)

Hexane-2,4-dione, also known as acetylacetone, is a β-diketone with the molecular formula C?H?O?. This versatile compound is widely used as a chelating ligand in coordination chemistry due to its ability to form stable complexes with metal ions. Its high solubility in organic solvents and moderate volatility make it suitable for applications in organic synthesis, catalysis, and as a precursor for heterocyclic compounds. Hexane-2,4-dione exhibits keto-enol tautomerism, enhancing its reactivity in condensation and alkylation reactions. Its consistent purity and stability under standard conditions ensure reliable performance in industrial and laboratory settings. The compound is also employed in polymer stabilization and as a crosslinking agent in resins.
Hexane-2,4-dione structure
Hexane-2,4-dione structure
Product Name:Hexane-2,4-dione
CAS No:3002-24-2
MF:C6H10O2
MW:114.142402172089
MDL:MFCD00009318
CID:306628
PubChem ID:76355
Update Time:2025-06-07

Hexane-2,4-dione Chemical and Physical Properties

Names and Identifiers

    • Hexane-2,4-dione
    • 2,4-Hexanedione
    • 2,4-DICHLORO-1,1,1,6,6,6-HEXAFLUORO-2-HEXENE
    • 2,4-hexandione
    • 3-methyl-acetylacetone
    • Acetone,propionyl
    • EINECS 221-094-1
    • MeC(O)CH2CO2Et
    • methyl acetylacetone
    • Propionylacetone
    • NSC 88937
    • Acetone, propionyl-
    • FMD32E86EP
    • NDOGLIPWGGRQCO-UHFFFAOYSA-N
    • KSC222O1J
    • EBD35249
    • BCP27542
    • NSC88937
    • ST2419416
    • W5243
    • EN300-9
    • NS00022011
    • UNII-FMD32E86EP
    • A15462
    • Hexane-2 pound not4-dione
    • AMY2701
    • SCHEMBL93362
    • AI3-19251
    • FT-0600467
    • AKOS004115480
    • CS-W023089
    • NSC-88937
    • 3002-24-2
    • Z1013699870
    • MFCD00009318
    • BRN 1071471
    • AS-18272
    • Q26841317
    • DTXSID0062769
    • EN300-70175
    • DTXCID6038118
    • DB-005138
    • MDL： MFCD00009318
    • Inchi： 1S/C6H10O2/c1-3-6(8)4-5(2)7/h3-4H2,1-2H3
    • InChI Key： NDOGLIPWGGRQCO-UHFFFAOYSA-N
    • SMILES： O=C(CC(C)=O)CC
    • BRN： 1071471

Computed Properties

  • Exact Mass: 114.06800
  • Monoisotopic Mass: 114.068
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 105
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 8
  • XLogP3: 0.3
  • Topological Polar Surface Area: 34.1

Experimental Properties

  • Color/Form: Transparent colorless to yellow liquid
  • Density: 0.936±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 240-241 oC
  • Boiling Point: 161 oC
  • Flash Point: 53.6±16.8 oC,
  • Refractive Index: 1.47686 (14.9 oC)
  • Solubility: Slightly soluble (32 g/l) (25 o C),
  • PSA: 34.14000
  • LogP: 0.94460

Hexane-2,4-dione Security Information

Hexane-2,4-dione Customs Data

  • HS CODE：2914190090
  • Customs Data：

    China Customs Code:

    2914190090

    Overview:

    2914190090 Other acyclic ketones without other oxygen-containing groups.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    2914190090 other acyclic ketones without other oxygen function.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

Hexane-2,4-dione Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
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Hexane-2,4-dione
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Hexane-2,4-dione Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Alumina ;  500 °C
Reference
Conversion of ketone enol esters to β-diketones by intramolecular thermal rearrangement and by intermolecular acylations using boron fluoride
Young, Frank G.; et al, Journal of the American Chemical Society, 1950, 72, 3635-42

Production Method 2

Reaction Conditions
1.1 Reagents: Sulfoacetic acid ;  60 - 80 °C
2.1 Reagents: Alumina ;  500 °C
Reference
Conversion of ketone enol esters to β-diketones by intramolecular thermal rearrangement and by intermolecular acylations using boron fluoride
Young, Frank G.; et al, Journal of the American Chemical Society, 1950, 72, 3635-42

Hexane-2,4-dione Raw materials

Hexane-2,4-dione Preparation Products

Hexane-2,4-dione Related Literature

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