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398241 Sigma-Aldrich

Cyclohexanone

ACS reagent, ≥99.0%

  • CAS Number 108-94-1

  • Linear Formula C6H10(=O)

  • Molecular Weight 98.14

  •  Beilstein/REAXYS Number 385735

  •  EC Number 203-631-1

  •  MDL number MFCD00001625

  •  PubChem Substance ID 24864732

  •  NACRES NA.21

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Properties

Related Categories Building Blocks, C3 to C6, Carbonyl Compounds, Chemical Synthesis, Ketones,
Quality Level   200
grade   ACS reagent
vapor density   3.4 (vs air)
vapor pressure   3.4 mmHg ( 20 °C)
assay   ≥99.0%
autoignition temp.   788 °F
expl. lim.   1.1 %, 100 °F
  9.4 %
impurities   ≤0.05% water
evapn. residue   ≤0.05%
color   APHA: ≤10
refractive index   n20/D 1.450 (lit.)
bp   155 °C (lit.)
mp   −47 °C (lit.)
density   0.947 g/mL at 25 °C (lit.)
SMILES string   O=C1CCCCC1
InChI   1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
InChI key   JHIVVAPYMSGYDF-UHFFFAOYSA-N

Description

General description

Cyclohexanone, a colorless liquid is a cyclic ketone. It is an important building block for the synthesis of a variety of organic compounds. Majority of the cyclohexanone synthesized is utilized as an intermediate in the synthesis of nylon. One of the methods reported for its synthesis is by the palladium catalyzed hydrogenation of phenol. The kinetics of the oxidation reaction of cyclohexanone has been studied in a fused silica jet stirred reactor. The Meerwein–Ponndorf–Verley reduction of cyclohexanone has been reported.

Packaging

2 L in glass bottle

25, 500 mL in glass bottle

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
RIDADR 
UN 1915 3 / PGIII
WGK Germany 
WGK 1
RTECS 
GW1050000
Flash Point(F) 
111.2 °F - closed cup
Flash Point(C) 
44 °C - closed cup

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Protocols & Articles

Articles

Baeyer-Villiger Oxidation Reaction

The Baeyer–Villiger reaction involves the oxidation of ketones to esters by C-C bond cleavage of the carbonyl group and the introduction of an oxygen atom adjacent to it.1 This reaction can be accomp...
Keywords: Asymmetric synthesis, Catalysis, Oxidations

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Peer-Reviewed Papers
15

References

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