≥98% 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.
| Sonrisas canónicas | CCN1CCOCC1.CC1=CC=C(C=C1)C(=O)CCC(=O)O.CC1=CC=C(C=C1)C(=O)CCC(=O)O |
|---|---|
| IUPAC Name | 4-ethylmorpholine;4-(4-methylphenyl)-4-oxobutanoic acid |
| InChIKey | LTDBNNIHGJYJQO-UHFFFAOYSA-N |
| INCHI | 1S/2C11H12O3.C6H13NO/c2*1-8-2-4-9(5-3-8)10(12)6-7-11(13)14;1-2-7-3-5-8-6-4-7/h2*2-5H,6-7H2,1H3,(H,13,14);2-6H2,1H3 |
| Isómeros SMILES | CCN1CCOCC1.CC1=CC=C(C=C1)C(=O)CCC(=O)O.CC1=CC=C(C=C1)C(=O)CCC(=O)O |
| PubChem CID | 72942793 |
| Peso molecular | 499.6 |
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 |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Butyrophenones Aryl alkyl ketones Benzoyl derivatives Gamma-keto acids and derivatives Toluenes Morpholines Trialkylamines Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Hydrocarbon derivatives Organic oxides Organopnictogen compounds Aldehydes |
| Molecular Framework | Not available |
| Substituents | Alkyl-phenylketone - Butyrophenone - Benzoyl - Gamma-keto acid - Aryl alkyl ketone - Toluene - Monocyclic benzene moiety - Keto acid - Morpholine - Oxazinane - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Aldehyde - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 499.600 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 499.257 Da |
| Monoisotopic Mass | 499.257 Da |
| Topological Polar Surface Area | 121.000 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 274.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 3 |
