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874-23-7

874-23-7 Structure

874-23-7 Structure
IdentificationMore
[Name]

2-ACETYLCYCLOHEXANONE
[CAS]

874-23-7
[Synonyms]

2-Acetyl-1-cyclohexanone
2-acetyl-cyclohexanon
Acetylcyclohexanone
alpha-Acetylcyclohexanone
2-Acetylcyclohexanone,98%
2-acetylcyclohexan-1-one
[EINECS(EC#)]

212-858-5
[Molecular Formula]

C8H12O2
[MDL Number]

MFCD00001633
[Molecular Weight]

140.18
[MOL File]

874-23-7.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow liquid
[Melting point ]

-11°C
[Boiling point ]

111-112 °C/18 mmHg (lit.)
[density ]

1.078 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.509(lit.)
[Fp ]

175 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Chloroform, Ethyl Acetate
[form ]

Liquid
[pka]

10.91±0.20(Predicted)
[color ]

Clear colorless to light yellow
[Water Solubility ]

Not miscible in water.
[BRN ]

1858621
[InChI]

1S/C8H12O2/c1-6(9)7-4-2-3-5-8(7)10/h7H,2-5H2,1H3
[InChIKey]

OEKATORRSPXJHE-UHFFFAOYSA-N
[SMILES]

CC(=O)C1CCCCC1=O
[CAS DataBase Reference]

874-23-7(CAS DataBase Reference)
[EPA Substance Registry System]

Cyclohexanone, 2-acetyl- (874-23-7)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H227
[Precautionary statements ]

P210e-P280a-P370+P378a-P501a-P210-P280-P370+P378-P403+P235-P501
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

29142990
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to light yellow liquid
[Uses]

2-Acetylcyclohexanone is used in the synthesis of 1-(pyridyl)ethanol derivatives that can reduce keto-esters and ketones. Also used in the synthesis of phenothiazine derivatives that can inhibit prote in farnesyltransferase molecules and some that show anti-proliferative activity.
[General Description]

The keto-enol tautomerism of 2-acetylcyclohexanone (ACHE) in water was studied.
[Purification Methods]

Dissolve it in ligroin (b 30-60o), wash it with saturated aqueous NaHCO3, dry over Drierite and fractionate in a vacuum. [Perfetti & Levine J Am Chem Soc 75 626 1953, Manyik et al. J Am Chem Soc 75 5030 1953, Eistert & Reiss Chem Ber 87 108 1954.] It forms a Cu salt which crystallises in green leaflets from EtOH, m 162-163o [UV: McEntee & Pinder J Chem Soc 4419 1957].
Spectrum DetailBack Directory
[Spectrum Detail]

2-ACETYLCYCLOHEXANONE(874-23-7)MS
2-ACETYLCYCLOHEXANONE(874-23-7)1HNMR
2-ACETYLCYCLOHEXANONE(874-23-7)IR1
2-ACETYLCYCLOHEXANONE(874-23-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Acetylcyclohexanone, 98%(874-23-7)
[Alfa Aesar]

2-Acetylcyclohexanone, 98%(874-23-7)
[Sigma Aldrich]

874-23-7(sigmaaldrich)
[TCI AMERICA]

2-Acetylcyclohexanone,>97.0%(GC)(874-23-7)
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