343447
5-Isopropyl-1,3-cyclohexanedione
99% (GC)
Manufacturer: Sigma Aldrich
CAS Number: 18456-87-6
Select a Size
| Pack Size | SKU | Availability | Price |
|---|---|---|---|
| 5 G | 343447-5-G | In Stock | ₹ 23,284.58 |
343447 - 5 G
In Stock
Quantity
1
Base Price: ₹ 23,284.58
GST (18%): ₹ 4,191.224
Total Price: ₹ 27,475.804
Quality Level
100
Assay
99% (GC)
form
solid
mp
63-65 °C (lit.)
shipped in
dry ice
SMILES string
[H]O[H].CC(C)C1CC(=O)CC(=O)C1
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
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | Sigma Aldrich Fine Chemicals Biosciences 5-Isopropyl-1,3-cyclohexanedione 99% (GC) | 18456-87-6 | MFCD00150873 | 5G | Sigma Aldrich Fine Chemicals Biosciences | ₹ 16,350.52 | |
 | eMolecules 5-Isopropyl-1,3-cyclohexanedione | 5G | Ships from Wood Dale, IL | Chem-Impex | 18456-87-6 | MFCD00075263 | MW: 154.21 | eMolecules | ₹ 35,278.95 | |
 | 5-Isopropylcyclohexane-1,3-dione | ChemScene | ₹ 6,331.44 |
Description
- 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.[1] A multistep-synthesis of 5-isopropyl-1,3-cyclohexanedione involving aldol condensation, Dieckmann-type annulation, ester hydrolysis and decarboxylation is reported.[2]
- 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.[1] It may be used in the synthesis of 2H-pyrans, via reaction with α,β-unsaturated aldehydes.[3]
SAFETY INFORMATION
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Compare Similar Items
Show Difference
Quality Level: 100
Assay: 99% (GC)
form: solid
mp: 63-65 °C (lit.)
shipped in: dry ice
SMILES string: [H]O[H].CC(C)C1CC(=O)CC(=O)C1
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
Quality Level:
100
Assay:
99% (GC)
form:
solid
mp:
63-65 °C (lit.)
shipped in:
dry ice
SMILES string:
[H]O[H].CC(C)C1CC(=O)CC(=O)C1
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
Quality Level: 100
Assay: 99%
form: solid
mp: __
shipped in: __
SMILES string: O=S(=O)(Cc1ccccc1)Cc2ccccc2
InChI: 1S/C14H14O2S/c15-17(16,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChI key: AWHNUHMUCGRKRA-UHFFFAOYSA-N
Quality Level:
100
Assay:
99%
form:
solid
mp:
__
shipped in:
__
SMILES string:
O=S(=O)(Cc1ccccc1)Cc2ccccc2
InChI:
1S/C14H14O2S/c15-17(16,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChI key:
AWHNUHMUCGRKRA-UHFFFAOYSA-N
Quality Level: 200
Assay: 97%
form: solid
mp: 43-47 °C (lit.)
shipped in: __
SMILES string: CC(C)(C)OC(=O)N1CCNCC1
InChI: 1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3
InChI key: CWXPZXBSDSIRCS-UHFFFAOYSA-N
Quality Level:
200
Assay:
97%
form:
solid
mp:
43-47 °C (lit.)
shipped in:
__
SMILES string:
CC(C)(C)OC(=O)N1CCNCC1
InChI:
1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3
InChI key:
CWXPZXBSDSIRCS-UHFFFAOYSA-N
Quality Level: 100
Assay: 98%
form: liquid
mp: __
shipped in: __
SMILES string: COC(C)(OC)C(C)=O
InChI: 1S/C6H12O3/c1-5(7)6(2,8-3)9-4/h1-4H3
InChI key: UFQBSPGKRRSATO-UHFFFAOYSA-N
Quality Level:
100
Assay:
98%
form:
liquid
mp:
__
shipped in:
__
SMILES string:
COC(C)(OC)C(C)=O
InChI:
1S/C6H12O3/c1-5(7)6(2,8-3)9-4/h1-4H3
InChI key:
UFQBSPGKRRSATO-UHFFFAOYSA-N