≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Sorrisos canónicos | CCOC1=C(C(=C(C=C1)C(=O)C)O)C |
|---|---|
| IUPAC Name | 1-(4-ethoxy-2-hydroxy-3-methylphenyl)ethanone |
| InChIKey | JZJNFRYRYWLJBP-UHFFFAOYSA-N |
| INCHI | 1S/C11H14O3/c1-4-14-10-6-5-9(8(3)12)11(13)7(10)2/h5-6,13H,4H2,1-3H3 |
| SMILES isoméricas | CCOC1=C(C(=C(C=C1)C(=O)C)O)C |
| WGK Alemanha | 3 |
| RTECS | US6504000 |
| Peso molecular | 194.23 |
| Reaxy-Rn | 9258401 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9258401&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 |
| Classe | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Acetophenones Phenoxy compounds Phenol ethers Ortho cresols Benzoyl derivatives Aryl alkyl ketones Toluenes Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Acetophenone - Phenoxy compound - Benzoyl - O-cresol - Phenol ether - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Toluene - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Ether - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound |
| Descrição | 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 |
| Ponto de fusão (°C) | 50-54 °C (lit.) |
|---|---|
| Peso molecular | 194.230 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 194.094 Da |
| Monoisotopic Mass | 194.094 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 203.000 |
| 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 | 1 |
