≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,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.
Ethyl benzoylformate has been used in preparation of 1,5-dihydro-5-deazaflavin derivatives possessing a chiral substituent at N(3) position.
| Canonical Smiles | CCOC(=O)C(=O)C1=CC=CC=C1 |
|---|---|
| IUPAC Name | ethyl 2-oxo-2-phenylacetate |
| InChIKey | QKLCQKPAECHXCQ-UHFFFAOYSA-N |
| INCHI | 1S/C10H10O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
| Isomeric SMILES | CCOC(=O)C(=O)C1=CC=CC=C1 |
| WGK Germany | 3 |
| Molecular Weight | 178.18 |
| Reaxy-Rn | 1072921 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1072921&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 Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aryl ketone - Benzoyl - Keto acid - Alpha-keto acid - 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 | ethyl ester |
| Solubility | Soluble in water 1143 mg/L @ 25°C |
|---|---|
| Sensitivity | Moisture sensitive. |
| Refractive Index | 1.516 |
| Flash Point(°F) | >235.4 °F |
| Flash Point(°C) | 113℃ |
| Boil Point(°C) | 138-139°C |
| Molecular Weight | 178.180 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 178.063 Da |
| Monoisotopic Mass | 178.063 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 192.000 |
| 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. Ou Zhimin, Lan Ma, Yangpin Niu, Jian Cui. (2018) Preparation of (R)-(-)-mandelic acid by two-step biotransformation of ethyl benzoylformate. BIOCATALYSIS AND BIOTRANSFORMATION, [PMID:] [10.1080/10242422.2017.1420063] |
