5-Phenylcyclohexane-1,3-dione
- CAS NO.：493-72-1
- Empirical Formula: C12H12O2
- Molecular Weight: 188.22
- MDL number: MFCD00051846
- EINECS: 639-396-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-09-12 18:52:22
What is 5-Phenylcyclohexane-1,3-dione?
Chemical properties
slightly yellow to yellow crystalline powder
The Uses of 5-Phenylcyclohexane-1,3-dione
5-Phenyl-1,3-cyclohexanedione may be used:
- in the synthesis of hexahydrobenzo[a]phenanthridin-4-one derivatives via condensation with N-arylmethylene-2-naphthylamines
- in the preparation of benzophenanthridine derivatives
- in the preparation of iodonium betaine
- in the synthesis of various 2H-pyrans by iodine-catalyzed reactions
General Description
5-Phenyl-1,3-cyclohexanedione is a 1,3-diketone. Reaction of 5-phenyl-1,3-cyclohexanedione with N-substituted isatins in pyrindine has been investigated.
Properties of 5-Phenylcyclohexane-1,3-dione
| Melting point: | 188 °C (lit.) |
| Boiling point: | 283.23°C (rough estimate) |
| Density | 1.0750 (rough estimate) |
| refractive index | 1.6010 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | 4.92±0.20(Predicted) |
| color | Faint yellow to light yellow |
| BRN | 1103470 |
| CAS DataBase Reference | 493-72-1(CAS DataBase Reference) |
| EPA Substance Registry System | 1,3-Cyclohexanedione, 5-phenyl- (493-72-1) |
Safety information for 5-Phenylcyclohexane-1,3-dione
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
Computed Descriptors for 5-Phenylcyclohexane-1,3-dione
| InChIKey | UPPYKNLSSLIIAZ-UHFFFAOYSA-N |
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