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Cycloheptanone

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Cycloheptanone Basic information

Product Name:
Cycloheptanone
Synonyms:
  • Ketocycloheptane
  • Ketoheptamethylene
  • SUBERYL ALCOHOL
  • SUBEROL
  • SUBERON
  • SUBERONE
  • OXOHEPTAMETHYLENE
  • CYCLOHEPTANONE
CAS:
502-42-1
MF:
C7H12O
MW:
112.17
EINECS:
207-937-6
Product Categories:
  • Quinolines
  • C7 to C8
  • Pharmaceutical Intermediates
  • Carbonyl Compounds
  • Ketones
  • K00001
Mol File:
502-42-1.mol
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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)
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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

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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.]

Cycloheptanone Preparation Products And Raw materials

Raw materials

Preparation Products

CycloheptanoneSupplier

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