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2-Acetylcyclohexanone

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2-Acetylcyclohexanone Basic information
Product Name:2-Acetylcyclohexanone
Synonyms:alpha-Acetylcyclohexanone;2-Acetylcyclohexanone,98%;2-Acetylcyclohexanone,97%;2-ACETYLCYCLOHEXANONE FOR SYNTHESIS;2-Acetyl-1-cyclohexanone;2-acetyl-cyclohexanon;Acetylcyclohexanone;2-Acetylcyclohexanone >
CAS:874-23-7
MF:C8H12O2
MW:140.18
EINECS:212-858-5
Product Categories:C7 to C8;Carbonyl Compounds;Ketones
Mol File:874-23-7.mol
2-Acetylcyclohexanone Structure
2-Acetylcyclohexanone Chemical Properties
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
pka10.91±0.20(Predicted)
color Clear colorless to light yellow
Water Solubility Not miscible in water.
BRN 1858621
InChI1S/C8H12O2/c1-6(9)7-4-2-3-5-8(7)10/h7H,2-5H2,1H3
InChIKeyOEKATORRSPXJHE-UHFFFAOYSA-N
SMILESCC(=O)C1CCCCC1=O
CAS DataBase Reference874-23-7(CAS DataBase Reference)
EPA Substance Registry SystemCyclohexanone, 2-acetyl- (874-23-7)
Safety Information
Safety Statements 23-24/25
WGK Germany 3
TSCA TSCA listed
HS Code 29142990
Storage Class10 - Combustible liquids
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
ALFA English
2-Acetylcyclohexanone Usage And Synthesis
Chemical Propertiesclear colorless to light yellow liquid
Uses2-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.
Uses2-Acetylcyclohexanone was used in the synthesis of anilinoethanolamines.
General DescriptionThe keto-enol tautomerism of 2-acetylcyclohexanone (ACHE) in water was studied.
Purification MethodsDissolve 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].
2-Acetylcyclohexanone Preparation Products And Raw materials
Preparation ProductsEthyl 3-methyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate-->Monoethyl Adipate
Tag:2-Acetylcyclohexanone(874-23-7) Related Product Information
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