≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Application：
Reactant involved in:
Hydroxylation / oxidative chlorination with hydrogen peroxide
Heterocyclization
Cyclization of generated dianions followed by dehydrogenation
Palladium-catalyzed isomerization
Regioselective cyclizations
Vinylogous Michael reactions
| カノニカル・スマイル | CCOC(=O)C1CCC(CC1=O)C |
|---|---|
| IUPAC Name | ethyl 4-methyl-2-oxocyclohexane-1-carboxylate |
| InChIKey | FFVHHWOJYFCNJP-UHFFFAOYSA-N |
| INCHI | 1S/C10H16O3/c1-3-13-10(12)8-5-4-7(2)6-9(8)11/h7-8H,3-6H2,1-2H3 |
| 異性体SMILES | CCOC(=O)C1CCC(CC1=O)C |
| WGKドイツ | 3 |
| 分子量 | 184.23 |
| Reaxy-Rn | 974594 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=974594&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| 分類 | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1,3-dicarbonyl compounds |
| Alternative Parents | Cyclic ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | 1,3-dicarbonyl compound - Cyclic ketone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as 1,3-dicarbonyl compounds. These are carbonyl compounds with the generic formula O=C(R)C(H)C(R')=O, where R and R' can be any group. |
| External Descriptors | Not available |
| 引火点（°F） | >235.4 °F |
|---|---|
| 引火点（°C） | >113 °C |
| 分子量 | 184.230 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 184.11 Da |
| Monoisotopic Mass | 184.11 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 210.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
