5-Isopropyl-1,3-cyclohexanedione

ALDRICH/343447 - 99% (GC)

CAS Number: 18456-87-6
Empirical Formula (Hill Notation): C₉H₁₄O₂
Molecular Weight: 154.21
MDL Number: MFCD00150873
Linear Formula: (CH₃)₂CHC₆H₇(=O)₂
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-343447-5G	5 g	$156.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	99% (GC)
form	solid
InChI	1S/C9H14O2.H2O/c1-6(2)7-3-8(10)5-9(11)4-7;/h6-7H,3-5H2,1-2H3;1H2
InChI key	JYJVWRORYGGPHA-UHFFFAOYSA-N
mp	63-65 °C (lit.)
shipped in	dry ice
SMILES string	[H]O[H].CC(C)C1CC(=O)CC(=O)C1

Application:	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.
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.
Packaging:	5 g in poly bottle

RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Purity	99% (GC)
mp	63-65 °C (lit.)
UNSPSC	12352100

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