Cycloheptanone

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
Cycloheptanone Structure
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.)
Fp 160 °F
storage temp. Flammables area
form Liquid
color Clear colorless to yellow
Specific Gravity0.951 (20℃)
Water Solubility INSOLUBLE
Merck 14,2722
BRN 969823
CAS DataBase Reference502-42-1(CAS DataBase Reference)
NIST Chemistry ReferenceCycloheptanone(502-42-1)
EPA Substance Registry SystemCycloheptanone (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 Data502-42-1(Hazardous Substances Data)
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
ALFA English
Cycloheptanone Usage And Synthesis
Chemical Propertiesclear colorless to yellow liquid
UsesCycloheptanone 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
Purification MethodsShake 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.]
N-Carbethoxy-4-tropinone (+/-)-exo-6-Hydroxytropinone INGENOL 3,20-DIBENZOATE Buspirone 4,10-DIBROMOTETRACYCLO[6.3.0.0(2,6).0(5,9)]UNDECANE-3,11-DIONE methyl cycloheptanone-2-carboxylate Ingenol 4-Heptanone 6-Methyl-5-hepten-2-one PENTACYCLO[5.4.0(2,6).0(3,10).0(5,9)]UNDECANE-8,11-DIONE 16-OXOCAFESTOL KEPONE-13C8 N-Benzyltropinone ENDRIN KETONE Cyclohexanone Cyclopentanone 17alpha-Ethynyl-19-nortestosterone 17-heptanoate Cycloheptanone

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