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Acetylacetone

analytical standard

Synonym: 2,4-Pentanedione

  • CAS Number 123-54-6

  • Linear Formula CH3COCH2COCH3

  • Molecular Weight 100.12

  •  Beilstein/REAXYS Number 741937

  •  EC Number 204-634-0

  •  MDL number MFCD00008787

  •  eCl@ss 39021208

  •  PubChem Substance ID 329748100

  •  NACRES NA.24

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Properties

Related Categories A-B, A-C, A-F, A-L, Additional Standards,
Quality Level   100
grade   analytical standard
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 %
application(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.)
Featured Industry   Cleaning Products
Cosmetics
Environmental
Flavors and Fragrances
Food and Beverages
Personal Care
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

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

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Hazard statements 
RIDADR 
UN 2310 6.1(3) / PGIII
WGK Germany 
WGK 1
RTECS 
SA1925000
Flash Point(F) 
95.0 °F - Non-equilibrium method
Flash Point(C) 
35 °C - Non-equilibrium method
Protocols & Articles

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Peer-Reviewed Papers
15

References

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