Cas no 167545-33-7 (4-ethyl-2,2,6,6-tetramethylheptane-3,5-dione)
4-ethyl-2,2,6,6-tetramethylheptane-3,5-dione is a specialized organic compound with distinctive properties. This cyclic ketone boasts enhanced stability, which contributes to its resistance against thermal degradation and photolysis. Its rigid structure offers a platform for diverse chemical transformations, making it an attractive candidate in synthesis of pharmaceuticals, agrochemicals, and materials science applications.
167545-33-7 structure
Product Name:4-ethyl-2,2,6,6-tetramethylheptane-3,5-dione
CAS No:167545-33-7
MF:C13H24O2
MW:212.328464508057
CID:110963
PubChem ID:546088
Update Time:2025-07-25
4-ethyl-2,2,6,6-tetramethylheptane-3,5-dione Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Heptanedione,4-ethyl-2,2,6,6-tetramethyl-
- 3,5-Heptanedione, 4-ethyl-2,2,6,6-tetramethyl-
- 4-ethyl-2,2,6,6-tetramethylheptane-3,5-dione
- 167545-33-7
- 4-Ethyl-2,2,6,6-tetramethyl-3,5-heptanedione #
- JKEWQMMYIOHEBI-UHFFFAOYSA-N
- EN300-1127399
- SCHEMBL8460018
- CHEBI:229371
-
- Inchi: 1S/C13H24O2/c1-8-9(10(14)12(2,3)4)11(15)13(5,6)7/h9H,8H2,1-7H3
- InChI Key: JKEWQMMYIOHEBI-UHFFFAOYSA-N
- SMILES: O=C(C(C)(C)C)C(CC)C(C(C)(C)C)=O
Computed Properties
- Exact Mass: 212.17772
- Monoisotopic Mass: 212.177630004g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 225
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
4-ethyl-2,2,6,6-tetramethylheptane-3,5-dione Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1127399-0.05g |
4-ethyl-2,2,6,6-tetramethylheptane-3,5-dione |
167545-33-7 | 95% | 0.05g |
$587.0 | 2023-10-26 | |
| Enamine | EN300-1127399-0.1g |
4-ethyl-2,2,6,6-tetramethylheptane-3,5-dione |
167545-33-7 | 95% | 0.1g |
$615.0 | 2023-10-26 | |
| Enamine | EN300-1127399-0.25g |
4-ethyl-2,2,6,6-tetramethylheptane-3,5-dione |
167545-33-7 | 95% | 0.25g |
$642.0 | 2023-10-26 | |
| Enamine | EN300-1127399-0.5g |
4-ethyl-2,2,6,6-tetramethylheptane-3,5-dione |
167545-33-7 | 95% | 0.5g |
$671.0 | 2023-10-26 | |
| Enamine | EN300-1127399-1.0g |
4-ethyl-2,2,6,6-tetramethylheptane-3,5-dione |
167545-33-7 | 1g |
$884.0 | 2023-06-09 | ||
| Enamine | EN300-1127399-2.5g |
4-ethyl-2,2,6,6-tetramethylheptane-3,5-dione |
167545-33-7 | 95% | 2.5g |
$1370.0 | 2023-10-26 | |
| Enamine | EN300-1127399-5.0g |
4-ethyl-2,2,6,6-tetramethylheptane-3,5-dione |
167545-33-7 | 5g |
$2566.0 | 2023-06-09 | ||
| Enamine | EN300-1127399-10.0g |
4-ethyl-2,2,6,6-tetramethylheptane-3,5-dione |
167545-33-7 | 10g |
$3807.0 | 2023-06-09 | ||
| Enamine | EN300-1127399-1g |
4-ethyl-2,2,6,6-tetramethylheptane-3,5-dione |
167545-33-7 | 95% | 1g |
$699.0 | 2023-10-26 | |
| Enamine | EN300-1127399-5g |
4-ethyl-2,2,6,6-tetramethylheptane-3,5-dione |
167545-33-7 | 95% | 5g |
$2028.0 | 2023-10-26 |
4-ethyl-2,2,6,6-tetramethylheptane-3,5-dione Related Literature
-
Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Kevin M. Koo,Abu Ali Ibn Sina,Laura G. Carrascosa,Muhammad J. A. Shiddiky Analyst, 2014,139, 6178-6184
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