Cycloheptanone
- CAS NO.：502-42-1
- Empirical Formula: C7H12O
- Molecular Weight: 112.17
- MDL number: MFCD00004159
- EINECS: 207-937-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-01-13 11:26:41
What is Cycloheptanone?
Chemical properties
clear colorless to yellow liquid
The Uses of Cycloheptanone
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.]
Properties of Cycloheptanone
| Melting point: | -21°C |
| Boiling point: | 179 °C (lit.) |
| Density | 0.951 g/mL at 25 °C (lit.) |
| refractive index | n |
| 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 for Cycloheptanone
| Signal word | Warning |
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H226:Flammable liquids H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
Computed Descriptors for Cycloheptanone
Cycloheptanone manufacturer
JSK Chemicals
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