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Chemical Properties

CAS Registry Number: 123-54-6

Selected information from two of the National Library of Medicine's databases: ChemIDPlus2 and HSDB3.

Names 1

  • 2,4-Dioxopentane
  • 2,4-Pentanedione

Structure

Chemical Structure for Chemical Abstracts Service Registry Number 123-54-6 from NLM

Synonyms (Sources: NTP,HSDB,RTECS,MESH)2

  • 2,4-Dioxopentane
  • 2,4-Pentadione
  • 2-Propanone, acetyl-
  • 4-01-00-03662 (Beilstein Handbook Reference)
  • Acetoacetone
  • Acetone, acetyl-
  • Acetyl 2-propanone
  • Acetylacetone
  • BRN 0741937
  • Diacetylmethane
  • HSDB 2064
  • Pentan-2,4-dione
  • Pentanedione
  • Pentanedione-2,4

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Other Registry Numbers2

  • 81235-32-7

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Chemical Properties3

Property Description
Boiling Point
  • 138 deg C
Color/Form
  • Colorless or slightly yellow liquid
Corrosivity
  • None Found
Critical Temperature & Pressure
  • None Found
Density/Specific Gravity
  • 0.9721 at 25 deg C/4 deg C
Dissociation Constants
  • None Found
Heat Of Combustion
  • -11,070 Btu/lb= -6,150 Cal/g
Heat Of Vaporization
  • 36.55 kJ/mol at 101.3 kPa
Melting Point
  • -23 deg C
Molecular Weight
  • 100.12
Odor
  • Mild ketone-like odor
  • Pleasant odor
Other Chemical/Physical Properties
  • Bulk density = 8.1 lb/gal
  • Heat of solution: -11.5 Btu/lg = -6.4 Cal/g; Ratio of specific heats of vapor (gas) = 1.072 (est)
  • Henry's Law constant= 2.35X10-6 atm-cu m/mole at 20 deg C (est)
  • Hydroxyl radical reaction rate constant = 1.15X10-12 cu cm/molec-sec at 25 deg C
  • The enol form predominates (70-90%) in the pure liquid state, the vapor state, and when dissolved in most organic solvents. In water, only 12% of the enol is present at equilibrium
Relative Evaporation Rate
  • None Found
Solubilities
  • In water, 166,000 mg/L at 20 deg C
  • Miscible in ethanol, ether, acetone chloroform
  • Miscible with glacial acetic acid, propylene glycol. Insoluble in glycerin.
Spectral Properties
  • 13C NMR: 115 (Johnson and Jankowski, Carbon-13 NMR for Chemists, John Wiley & Sons, New York)
  • IR: 497 (Sadtler Research Laboratories IR Grating Collection)
  • Index of refraction: 1.4494 at 20 deg C/D
  • MASS: 1117 (NIST/EPA/MSDC Mass Spectral Database, 1990 version)
  • MAX ABSORPTION (ISOOCTANE): 271 NM (LOG E= 4.00); (CHLOROFORM): 274 NM (LOG E= 4.03)
  • SADTLER REFERENCE NUMBER: 5774 (IR, PRISM)
  • UV: 1615 (Sadtler Research Laboratories Spectral Collection)
Surface Tension
  • 31.2 dynes/cm @ 20 deg C
Taste
  • None Found
Vapor Density
  • 3.5 (Air= 1)
Vapor Pressure
  • 2.96 mm Hg at 20 deg C (est)
Viscosity
  • 0.6 mPa.s at 20 deg C
log P (octanol-water)
  • log Kow = 0.40
pH
  • None Found

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Uses3

  • 2,4-Pentanedione has been used as a fungicide, a bactericide, and a wood preservative. **PEER REVIEWED**
  • 2,4-pentanedione ... is ... applied in catalyst systems for the polymerization of olefins and for the control of curing rates in polyurethane coatings ... /and/ is also converted to metal-acetoacetonates, which in turn are used as stabilizers in PVC for instance. **PEER REVIEWED**
  • Chemical intermediate for organic compounds, rare earth chelates, paint & varnish driers & inks, titanium pentanedionate (crosslinking agent); gasoline additive to increase octane number. **PEER REVIEWED**
  • Forms organometallic complexes which are used as gasoline additives, lubricant additives, driers for varnishes and printer's inks ... **PEER REVIEWED**
  • Fungicides, insecticides, colors /SRP: Former uses/ **PEER REVIEWED**
  • Metal chelator intermediate for pharmaceuticals and dyes, metal plating, resin modification **PEER REVIEWED**

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Notes (Sources: NTP,HSDB,RTECS,MESH)2

  • None Found.

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Superlist Classes2

  • None Found

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Links to Additional Information2

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Footnotes

1 Source: the NTP's CEBS database.

2 Source: the National Library of Medicine's ChemIDPlus, 02/28/2017.

3 Source: the National Library of Medicine's Hazardous Substance Database, 02/28/2017.

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