1-Cyclohexylethan-1-one Chemical Properties

Melting point:

-34°C

Boiling point:

181-183°C

Density 

0,917 g/cm³

refractive index 

1.4520

Flash point:

57°C

storage temp. 

2-8°C

solubility 

Chloroform, Ethyl Acetate (Slightly)

form 

Liquid

Specific Gravity

0.92

color 

Colourless

Water Solubility 

Not miscible or difficult to mix in water.

BRN 

507229

InChIKey

RIFKADJTWUGDOV-UHFFFAOYSA-N

SMILES

O=C(C1CCCCC1)C

LogP

1.930 (est)

CAS DataBase Reference

823-76-7(CAS DataBase Reference)

NIST Chemistry Reference

c-C6H11COCH3(823-76-7)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36/37/39

RIDADR 

1993

WGK Germany 

WGK 1

RTECS 

KM5638850

Hazard Note 

Irritant

HazardClass 

3.2

PackingGroup 

III

HS Code 

29142990

Storage Class

10 - Combustible liquids

Hazard Classifications

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

MSDS

• Language:English Provider:Cyclohexyl methyl ketone
• Language:English Provider:ALFA

1-Cyclohexylethan-1-one Usage And Synthesis

Chemical Properties

Colorless 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”.

Uses

It can be used to produce acetoxycyclohexane. It is also used as a pharmaceutical intermediate.

Preparation

1-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 Methods

Dissolve 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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