≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | 508809347 |
|---|---|
| Canonical Smiles | CC(=O)C1=CC=C(C=C1)C=O |
| IUPAC Name | 4-acetylbenzaldehyde |
| InChIKey | KTFKRVMXIVSARW-UHFFFAOYSA-N |
| INCHI | 1S/C9H8O2/c1-7(11)9-4-2-8(6-10)3-5-9/h2-6H,1H3 |
| Isomeric SMILES | CC(=O)C1=CC=C(C=C1)C=O |
| WGK Germany | 3 |
| Molecular Weight | 148.16 |
| Reaxy-Rn | 1931175 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1931175&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 |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Acetophenones Benzoyl derivatives Benzaldehydes Aryl alkyl ketones Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Benzoyl - Benzaldehyde - Aryl-aldehyde - Benzenoid - Monocyclic benzene moiety - Organic oxide - Hydrocarbon derivative - Aldehyde - Aromatic homomonocyclic compound |
| Description | 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 | Date | Item |
|---|---|---|---|
 J2520138 | Certificate of Analysis | Oct 22, 2025 | A169740 |
| L2206209 | Certificate of Analysis | Sep 10, 2025 | A169740 |
| L22081058 | Certificate of Analysis | Sep 10, 2025 | A169740 |
| H1909217 | Certificate of Analysis | Mar 04, 2025 | A169740 |
| Molecular Weight | 148.160 g/mol |
|---|---|
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 148.052 Da |
| Monoisotopic Mass | 148.052 Da |
| Topological Polar Surface Area | 34.100 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 155.000 |
| 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. Ru-De Lin, Xiu Xing, Yuan Yu, Wen-Dian Li, Dan-Dan Chang, Fei-Yan Tao, Na Wang. (2024) Theoretical Analysis of Selectivity Differences in Ketoreductases toward Aldehyde and Ketone Carbonyl Groups. Journal of Chemical Information and Modeling, [PMID:38537611] [10.1021/acs.jcim.3c01996] |
