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1-Cyclohexylethan-1-one

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  • CAS:823-76-7
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  • 2021-07-10
  • CAS:823-76-7
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1-Cyclohexylethan-1-one Basic information
Product Name:1-Cyclohexylethan-1-one
Synonyms:1-Acetylcyclohexane;1-cyclohexyl-ethanone;Acetophenone, hexahydro-;Cyclohexane, acetyl-;Ketone, cyclohexyl methyl;METHYLCYCLOHEXYL KETONE;Cyclohexylmethylketone,95%;CYCLOHEXYLETHANONE
CAS:823-76-7
MF:C8H14O
MW:126.2
EINECS:212-517-0
Product Categories:ketone
Mol File:823-76-7.mol
1-Cyclohexylethan-1-one Structure
1-Cyclohexylethan-1-one Chemical Properties
Melting point -34°C
Boiling point 181-183°C
density 0,917 g/cm3
refractive index 1.4520
Fp 57°C
storage temp. 2-8°C
solubility Chloroform, Ethyl Acetate (Slightly)
form Liquid
Specific Gravity0.92
color Colourless
Water Solubility Not miscible or difficult to mix in water.
BRN 507229
LogP1.930 (est)
CAS DataBase Reference823-76-7(CAS DataBase Reference)
NIST Chemistry Referencec-C6H11COCH3(823-76-7)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36/37/39
RIDADR 1993
RTECS KM5638850
Hazard Note Irritant
HazardClass 3.2
PackingGroup III
HS Code 29142990
MSDS Information
ProviderLanguage
Cyclohexyl methyl ketone English
ALFA English
1-Cyclohexylethan-1-one Usage And Synthesis
Chemical PropertiesColorless liquid, soluble in alcohol, essential oils and perfume materials. Peculiar camphoraceous-sweet odor with a certain amount of floral tones. Although this chemical would primarily lend itself to perfume compositions in the Pine, Wood, Herbaceous and other non-floral types, it has a similarity to the harsh-floral types such as Hyacinth, etc. and its sweetness is sometimes classified as “musky”.
UsesIt can be used to produce acetoxycyclohexane. It is also used as a pharmaceutical intermediate.
Preparation1-Cyclohexylethan-1-one is synthesized from cyclohexene, which is then hydrogenated to produce acetylcyclohexane.
Synthesis Reference(s)Journal of the American Chemical Society, 108, p. 7314, 1986 DOI: 10.1021/ja00283a029
The Journal of Organic Chemistry, 52, p. 2576, 1987 DOI: 10.1021/jo00388a042
Purification MethodsDissolve acetylcyclohexane in Et2O, shake it with H2O, dry, evaporate and fractionate it under reduced pressure. [UV: Mariella & Raube J Am Chem Soc 74 518 1952, enol content: Gero J Org Chem 19 1960 1954 .] The semicarbazone has m 174o and the 2,4-dinitrophenylhydrazone has m 139-140o [Theus & Schinz Helv Chim Acta 39 1290 1956].
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