Cycloheptanone Chemical Properties

Melting point:

-21°C

Boiling point:

179 °C (lit.)

Density 

0.951 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.477(lit.)

Flash point:

160 °F

storage temp. 

Flammables area

form 

Liquid

color 

Clear colorless to yellow

Specific Gravity

0.951 (20℃)

Water Solubility 

INSOLUBLE

Merck 

14,2722

BRN 

969823

CAS DataBase Reference

502-42-1(CAS DataBase Reference)

NIST Chemistry Reference

Cycloheptanone(502-42-1)

EPA Substance Registry System

Cycloheptanone (502-42-1)

Safety Information

Hazard Codes 

Xi,Xn

Risk Statements 

10-36/37/38-41-22

Safety Statements 

23-24/25-36-26-39

RIDADR 

UN 1987 3/PG 3

WGK Germany 

3

RTECS 

GU3325000

Hazard Note 

Irritant

TSCA 

Yes

HazardClass 

3

PackingGroup 

III

HS Code 

29142990

Hazardous Substances Data

502-42-1(Hazardous Substances Data)

MSDS

• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

Cycloheptanone Usage And Synthesis

Chemical Properties

clear colorless to yellow liquid

Uses

Cycloheptanone is used as a precursor for the synthesis of pharmaceuticals. A spasmolytic agent and vasodilator is produced from this chemical. They are also used in certain stereospecific enzymatic reactions.

Synthesis Reference(s)

Canadian Journal of Chemistry, 47, p. 145, 1969 DOI: 10.1139/v69-016
Journal of the American Chemical Society, 98, p. 6717, 1976 DOI: 10.1021/ja00437a059

Synthesis

Cycloheptanone is produced by cyclization and decarboxylation of suberic acid (1,8-octanedioic acid) or suberic acid esters in the gas phase at 400 – 450℃ over alumina doped with zinc oxide or cerium oxide.

Purification Methods

Shake suberone with aqueous KMnO4 to remove material absorbing around 230-240nm, then dry it with Linde type 13X molecular sieves and fractionally distil it through a glass helix packed column. [Blicke et al. J Am Chem Soc 74 2924 1952, Dauben et al. Org Synth Coll Vol IV 221, 229 1963, Beilstein 7 H 13, 7 I 9, 7 II 14, 7 III 46, 7 IV 39.]

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