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165131 Sigma-Aldrich

2,5-Hexanedione

≥98%

Synonym: Acetonylacetone

  • CAS Number 110-13-4

  • Linear Formula CH3COCH2CH2COCH3

  • Molecular Weight 114.14

  •  Beilstein Registry Number 506525

  •  EC Number 203-738-3

  •  MDL number MFCD00008792

  •  PubChem Substance ID 24850126

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Properties

Related Categories Building Blocks, C3 to C6, Carbonyl Compounds, Chemical Synthesis, Ketones,
vapor pressure   0.43 mmHg ( 20 °C)
InChI Key   OJVAMHKKJGICOG-UHFFFAOYSA-N
assay   ≥98%
refractive index   n20/D 1.425(lit.)
bp   191 °C(lit.)
mp   −6-−5 °C (lit.)
solubility   alcohol: miscible
  diethyl ether: miscible
  water: miscible
density   0.973 g/mL at 25 °C(lit.)

Description

Packaging

25, 100 g in glass bottle

Application

2,5-Hexanedione was used as starting reagent in the synthesis of trans-2,5-dimethylpyrrolidine.

It was used as reference standard for the determination of 2,5HD in human urine using gas chromatography-electron capture detection and gas chromatography-mass selective detection.

General description

2,5-Hexanedione is a major metabolite of the neurotoxic industrial solvent methyl n-butyl ketone. It reacts with amines to yield 2,5-dimethylpyrroles.

Safety & Documentation

Safety Information

Symbol 
Signal word 
Warning
Hazard statements 
Precautionary statements 
RIDADR 
NONH for all modes of transport
WGK Germany 
2
RTECS 
MO3150000
Flash Point(F) 
174.2 °F
Flash Point(C) 
79 °C

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