≥98%(GC) 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.
4-Ethoxycoumarin may be used in the preparation of 2-substituted-6-(2-hydroxyphenyl)-4(3H)-pyrimidones.[1] It may also be used to synthesize 2,2-diphenyl-4-chromanone and 2,2-dimethyl-4-chromanone.[2]
| Pubchem Sid | 488191130 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488191130 |
| Canonical Smiles | CCOC1=CC(=O)OC2=CC=CC=C21 |
| IUPAC Name | 4-ethoxychromen-2-one |
| InChIKey | FLZDKBHAUILYAZ-UHFFFAOYSA-N |
| INCHI | 1S/C11H10O3/c1-2-13-10-7-11(12)14-9-6-4-3-5-8(9)10/h3-7H,2H2,1H3 |
| Isomeric SMILES | CCOC1=CC(=O)OC2=CC=CC=C21 |
| WGK Germany | 3 |
| Molecular Weight | 190.2 |
| Reaxy-Rn | 155821 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=155821&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 | Phenylpropanoids and polyketides |
| Class | Coumarins and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Coumarins and derivatives |
| Alternative Parents | 1-benzopyrans Pyranones and derivatives Alkyl aryl ethers Benzenoids Vinylogous esters Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Coumarin - Benzopyran - 1-benzopyran - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous ester - Lactone - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). |
| External Descriptors | Not available |
| Solubility | Solubility in hot Methanol:very faint turbidity |
|---|---|
| Melt Point(°C) | 137 °C |
| Molecular Weight | 190.190 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 190.063 Da |
| Monoisotopic Mass | 190.063 Da |
| Topological Polar Surface Area | 35.500 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 257.000 |
| 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 |
B2313306