≥97%(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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488186286 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488186286 |
| Canonical Smiles | COC(=O)C(=O)C1=CC=CC=C1 |
| IUPAC Name | methyl 2-oxo-2-phenylacetate |
| InChIKey | YLHXLHGIAMFFBU-UHFFFAOYSA-N |
| INCHI | 1S/C9H8O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6H,1H3 |
| Isomeric SMILES | COC(=O)C(=O)C1=CC=CC=C1 |
| Molecular Weight | 164.16 |
| Beilstein | 10657 |
| Reaxy-Rn | 1100868 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1100868&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoyl derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoyl derivatives |
| Alternative Parents | Aryl ketones Alpha-keto acids and derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aryl ketone - Benzoyl - Keto acid - Alpha-keto acid - Methyl ester - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). |
| External Descriptors | methyl ester - alpha-ketoester |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2531064 | Certificate of Analysis | Aug 04, 2025 | M158124 |
| F2530387 | Certificate of Analysis | Jul 10, 2025 | M158124 |
| K2117576 | Certificate of Analysis | Apr 28, 2025 | M158124 |
| K2117579 | Certificate of Analysis | Apr 28, 2025 | M158124 |
| K2117580 | Certificate of Analysis | Apr 28, 2025 | M158124 |
| K2117584 | Certificate of Analysis | Apr 28, 2025 | M158124 |
| C2012116 | Certificate of Analysis | Dec 19, 2023 | M158124 |
| J2210287 | Certificate of Analysis | Oct 14, 2022 | M158124 |
| B2429051 | Certificate of Analysis | Jun 09, 2021 | M158124 |
| B2508013 | Certificate of Analysis | Jun 09, 2021 | M158124 |
| Refractive Index | 1.526 |
|---|---|
| Boil Point(°C) | 246-248 °C |
| Molecular Weight | 164.160 g/mol |
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 164.047 Da |
| Monoisotopic Mass | 164.047 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 180.000 |
| 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 |
| 1. Xie Chao, Lin Longfei, Huang Liang, Wang Zixin, Jiang Zhiwei, Zhang Zehui, Han Buxing. (2021) Zn-Nx sites on N-doped carbon for aerobic oxidative cleavage and esterification of C(CO)-C bonds. Nature Communications, 12 (1): (1-12). [PMID:34376654] [10.1038/s41467-021-25118-0] |
