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H41544 Sigma-Aldrich

4-Hydroxy-4-methyl-2-pentanone

99%

Synonym: Diacetone alcohol

  • CAS Number 123-42-2

  • Linear Formula (CH3)2C(OH)CH2COCH3

  • Molecular Weight 116.16

  •  Beilstein/REAXYS Number 1740440

  •  EC Number 204-626-7

  •  MDL number MFCD00004471

  •  PubChem Substance ID 24895626

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C3 to C6, Carbonyl Compounds, Chemical Synthesis, Ketones,
Quality Level   200
vapor density   4 (vs air)
vapor pressure   <1 mmHg ( 20 °C)
assay   99%
expl. lim.   6.9 %
refractive index   n20/D 1.423 (lit.)
bp   166 °C (lit.)
density   0.931 g/mL at 25 °C (lit.)
SMILES string   CC(=O)CC(C)(C)O
InChI   1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
InChI key   SWXVUIWOUIDPGS-UHFFFAOYSA-N

Description

Application

4-Hydroxy-4-methyl-2-pentanone can be used to synthesize:
• Diolmonoesters by reacting with aldehydes via tandem aldol-transfer–Tischtschenko reaction catalyzed by trimethylaluminum.
• Aldol-transfer products such as β-hydroxy ketones by reacting with various aldehydes in the presence of L-proline as a catalyst.
• Mono-α-arylated ketones and esters via Pd catalyzed reaction with aryl halides and aryl triflates, respectively.

It can also be used as a complexing agent to synthesize double-metal cyanide (DMC) catalysts by reacting with metal salt (MX) and cyanometalate compounds.

Packaging

25, 500 mL in glass bottle

4 L in glass bottle

Safety & Documentation

Safety Information

Symbol 
Signal word 
Warning
Hazard statements 
Precautionary statements 
RIDADR 
UN1148 - class 3 - PG 3 - Diacetone alcohol
WGK Germany 
WGK 1
RTECS 
SA9100000
Flash Point(F) 
136.4 °F - DIN 51755 Part 1
Flash Point(C) 
58 °C - DIN 51755 Part 1

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Protocols & Articles

Articles

GC Analysis of Industrial Solvents on Equity®-1701

From our library of Articles, Sigma-Aldrich presents GC Analysis of Industrial Solvents on Equity®-1701
Keywords: Chromatography, Flame ionization detector, Gas chromatography

GC Analysis of Industrial Solvents on SUPELCOWAX 10

From our library of Articles, Sigma-Aldrich presents GC Analysis of Industrial Solvents on SUPELCOWAX 10
Keywords: Chromatography, Flame ionization detector, Gas chromatography, Purification

GC Analysis of Volatiles in PVC Pipe on SPB®-HAP after Collection/Desorption using Carbotrap® 300 Tube

From our library of Articles, Sigma-Aldrich presents GC Analysis of Volatiles in PVC Pipe on SPB®-HAP after Collection/Desorption using Carbotrap® 300 Tube
Keywords: Air Monitoring, Chromatography, Gas chromatography, Purification

GC Analysis of a 56-Component Industrial Solvents Mix on SLB®-IL60, Comparison to a Polyethylene Glycol (PEG) Column

From our library of Articles, Sigma-Aldrich presents GC Analysis of a 56-Component Industrial Solvents Mix on SLB®-IL60, Comparison to a Polyethylene Glycol (PEG) Column
Keywords: Chromatography, Flame ionization detector, Gas chromatography

Peer-Reviewed Papers
15

References

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