≥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.
| Pubchem Sid | 488193110 |
|---|---|
| Canonical Smiles | CCOC(=O)C(=O)C1=CC=C(C=C1)C(C)C |
| IUPAC Name | ethyl 2-oxo-2-(4-propan-2-ylphenyl)acetate |
| InChIKey | CGCCWTUTQYRMIO-UHFFFAOYSA-N |
| INCHI | 1S/C13H16O3/c1-4-16-13(15)12(14)11-7-5-10(6-8-11)9(2)3/h5-9H,4H2,1-3H3 |
| Isomeric SMILES | CCOC(=O)C(=O)C1=CC=C(C=C1)C(C)C |
| Molecular Weight | 220.268 |
| Reaxy-Rn | 2642902 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2642902&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 | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Monoterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aromatic monoterpenoids |
| Alternative Parents | Monocyclic monoterpenoids Phenylpropanes Cumenes Benzoyl derivatives Aryl ketones Alpha-keto acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Cumene - Phenylpropane - Benzoyl - Aryl ketone - Keto acid - Alpha-keto acid - Monocyclic benzene moiety - Benzenoid - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2313172 | Certificate of Analysis | Apr 07, 2026 | E358694 |
| J2228535 | Certificate of Analysis | Aug 15, 2025 | E358694 |
| J2228508 | Certificate of Analysis | Aug 15, 2025 | E358694 |
| J2228502 | Certificate of Analysis | Aug 11, 2025 | E358694 |
| F2519143 | Certificate of Analysis | Jun 28, 2025 | E358694 |
| Molecular Weight | 220.260 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 220.11 Da |
| Monoisotopic Mass | 220.11 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 250.000 |
| 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 |
