≥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 | 488186319 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488186319 |
| Canonical Smiles | CC(=O)C1=CC(=C(C=C1)O)C(=O)OC |
| IUPAC Name | methyl 5-acetyl-2-hydroxybenzoate |
| InChIKey | XLSMGNNWSRNTIQ-UHFFFAOYSA-N |
| INCHI | 1S/C10H10O4/c1-6(11)7-3-4-9(12)8(5-7)10(13)14-2/h3-5,12H,1-2H3 |
| Isomeric SMILES | CC(=O)C1=CC(=C(C=C1)O)C(=O)OC |
| WGK Germany | 3 |
| Molecular Weight | 194.19 |
| Beilstein | 2643824 |
| Reaxy-Rn | 2643824 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2643824&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 | o-Hydroxybenzoic acid esters Salicylic acid and derivatives Acetophenones Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - O-hydroxybenzoic acid ester - Benzoate ester - Salicylic acid or derivatives - Acetophenone - Benzoic acid or derivatives - Benzoyl - Aryl alkyl ketone - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Methyl ester - Vinylogous acid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - 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 |
|---|---|---|---|
 G2214396 | Certificate of Analysis | Apr 07, 2026 | M124774 |
| G2214397 | Certificate of Analysis | Apr 07, 2026 | M124774 |
| G2214358 | Certificate of Analysis | Apr 07, 2026 | M124774 |
| G2214394 | Certificate of Analysis | Apr 07, 2026 | M124774 |
| G2214395 | Certificate of Analysis | Apr 07, 2026 | M124774 |
| K2118534 | Certificate of Analysis | Sep 04, 2025 | M124774 |
| K2118540 | Certificate of Analysis | Sep 04, 2025 | M124774 |
| K1722023 | Certificate of Analysis | Jun 16, 2025 | M124774 |
| D2319909 | Certificate of Analysis | Jun 05, 2021 | M124774 |
| Solubility | Soluble in methanol. |
|---|---|
| Boil Point(°C) | 167°C/15mmHg |
| Melt Point(°C) | 60°C |
| Molecular Weight | 194.180 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 194.058 Da |
| Monoisotopic Mass | 194.058 Da |
| Topological Polar Surface Area | 63.600 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 236.000 |
| 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 |
