≥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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Methyl 4-acetylbenzoate is an aromatic ketone that can be prepared from 4-bromoacetophenone.
| Pubchem Sid | 488187977 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187977 |
| Sonrisas canónicas | CC(=O)C1=CC=C(C=C1)C(=O)OC |
| IUPAC Name | methyl 4-acetylbenzoate |
| InChIKey | QNTSFZXGLAHYLC-UHFFFAOYSA-N |
| INCHI | 1S/C10H10O3/c1-7(11)8-3-5-9(6-4-8)10(12)13-2/h3-6H,1-2H3 |
| Isómeros SMILES | CC(=O)C1=CC=C(C=C1)C(=O)OC |
| WGK Alemania | 3 |
| Peso molecular | 178.18 |
| Beilstein | 10(3)3030 |
| Reaxy-Rn | 2093095 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2093095&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 |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Benzoic acid esters Acetophenones Benzoyl derivatives Aryl alkyl ketones Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Benzoate ester - Benzoic acid or derivatives - Acetophenone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Descripción | 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 G2222760 | Certificate of Analysis | May 09, 2026 | M123077 |
| G2222761 | Certificate of Analysis | May 09, 2026 | M123077 |
| G2222762 | Certificate of Analysis | May 09, 2026 | M123077 |
| G2222763 | Certificate of Analysis | May 09, 2026 | M123077 |
| K2125065 | Certificate of Analysis | Sep 08, 2025 | M123077 |
| K2125075 | Certificate of Analysis | Sep 08, 2025 | M123077 |
| K2125076 | Certificate of Analysis | Sep 08, 2025 | M123077 |
| K2125077 | Certificate of Analysis | Sep 08, 2025 | M123077 |
| L1318032 | Certificate of Analysis | Aug 15, 2025 | M123077 |
| I2103080 | Certificate of Analysis | Jun 11, 2025 | M123077 |
| K1919144 | Certificate of Analysis | Sep 06, 2023 | M123077 |
| Punto de fusión (°C) | 97°C |
|---|---|
| Peso molecular | 178.180 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| 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 | 202.000 |
| 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. Wang Jing, Ren Lu, Liu Yanqi, Wang Ping, Chen Yujia, Zhang Dawei. (2025) A Turn-on Fluorescent Chemical Sensor Based on Imidazole-Schiff Base Structure for Al3+ Detection as Well as Applications. JOURNAL OF FLUORESCENCE, [PMID:40887514] [10.1007/s10895-025-04551-0] |
| 2. Jing Wang, Lu Ren, Zhaoying Su, Chang Liu, Ziyi Liao, Yujia Chen, Dawei Zhang. (2026) Dual-applicable imidazole-schiff base fluorescent sensor for precise determination of Cu2+ in aqueous media and living cells. INORGANIC CHEMISTRY COMMUNICATIONS, [PMID:] [10.1016/j.inoche.2026.116197] |
