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ChemicalBook--->CAS DataBase List--->18456-87-6

18456-87-6

18456-87-6 Structure

18456-87-6 Structure
IdentificationBack Directory
[Name]

5-ISOPROPYL-1,3-CYCLOHEXANEDIONE
[CAS]

18456-87-6
[Synonyms]

5-ISOPROPYL-1,3-CYCLOHEXANEDIONE
5-(ISOPROPYL)CYCLOHEXANE-1,3-DIONE
5-propan-2-ylcyclohexane-1,3-dione
5-(1-Methylethyl)-1,3-cyclohexanedione
1,3-Cyclohexanedione, 5-(1-methylethyl)-
5-Isopropyl-1,3-cyclohexanedione hydrate, 99%
[Molecular Formula]

C9H14O2
[MDL Number]

MFCD00075263
[MOL File]

18456-87-6.mol
[Molecular Weight]

154.21
Chemical PropertiesBack Directory
[Melting point ]

63-65 °C(lit.)
[Boiling point ]

259.1±23.0 °C(Predicted)
[density ]

1.017±0.06 g/cm3(Predicted)
[form ]

solid
[pka]

5.23±0.20(Predicted)
[CAS DataBase Reference]

18456-87-6
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H335-H319
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
[Hazard Codes ]

Xi
[Risk Statements ]

43
[Safety Statements ]

36/37
[WGK Germany ]

3
[HS Code ]

2914290090
Hazard InformationBack Directory
[Uses]

5-Isopropyl-1,3-cyclohexanedione may be used as starting reagent for the synthesis of carvotanacetone analogs. It may be used in the preparation of monocyclic terepenes. It may be used in the synthesis of 2H-pyrans, via reaction with α,β-unsaturated aldehydes.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 72, p. 1645, 1950 DOI: 10.1021/ja01160a060
[General Description]

5-Isopropyl-1,3-cyclohexanedione is a cyclic 1,3-diketone. It can be prepared by condensation of isobutylideneacetone with ethyl malonate. 5-Isopropyl-1,3-cyclohexanedione on methylation with methyl iodide yields 5-isopropyl-2-methyl-1,3-cyclohexanedione. A multistep-synthesis of 5-isopropyl-1,3-cyclohexanedione involving aldol condensation, Dieckmann-type annulation, ester hydrolysis and decarboxylation is reported.
Spectrum DetailBack Directory
[Spectrum Detail]

5-ISOPROPYL-1,3-CYCLOHEXANEDIONE(18456-87-6)1HNMR
5-ISOPROPYL-1,3-CYCLOHEXANEDIONE(18456-87-6)Raman
5-ISOPROPYL-1,3-CYCLOHEXANEDIONE(18456-87-6)IR
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