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2,5-Hexanedione

ALDRICH/165131 - ≥98%

Synonym: Acetonylacetone

CAS Number: 110-13-4
Empirical Formula (Hill Notation): C6H10O2
Molecular Weight: 114.14
EC Number: 203-738-3
MDL Number: MFCD00008792
Linear Formula: CH3COCH2CH2COCH3
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-165131-25G 25 g
 $96.80
1/EA		 Add To Favorites
45-165131-100G 100 g
 $258.00
1/EA		 Add To Favorites
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 165131-100G.

 

assay ≥98%
bp 191 °C (lit.)
density 0.973 g/mL at 25 °C (lit.)
form liquid
functional group ketone
InChI 1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3
InChI key OJVAMHKKJGICOG-UHFFFAOYSA-N
mp −6-−5 °C (lit.)
refractive index n20/D 1.425 (lit.)
SMILES string CC(=O)CCC(C)=O
solubility alcohol: miscible
  diethyl ether: miscible
  water: miscible
vapor pressure 0.43 mmHg ( 20 °C)
Application: 2,5-Hexanedione was used as starting reagent in the synthesis of trans-2,5-dimethylpyrrolidine.
Application: 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.
Packaging: 25, 100 g in glass bottle
Purity ≥98%
bp 191 °C (lit.)
mp −6-−5 °C (lit.)
Density 0.973 g/mL at 25 °C (lit.)
Refractive Index n20/D 1.425 (lit.)
UNSPSC 12352100

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