≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Desiccated 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 | 488196348 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488196348 |
| Canonical Smiles | CCCCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)O |
| IUPAC Name | 2-hydroxy-5-octanoylbenzoic acid |
| InChIKey | IXIGWKNBFPKCCD-UHFFFAOYSA-N |
| INCHI | 1S/C15H20O4/c1-2-3-4-5-6-7-13(16)11-8-9-14(17)12(10-11)15(18)19/h8-10,17H,2-7H2,1H3,(H,18,19) |
| Isomeric SMILES | CCCCCCCC(=O)C1=CC(=C(C=C1)O)C(=O)O |
| Molecular Weight | 264.32 |
| Reaxy-Rn | 5548616 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5548616&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 | Butyrophenones Salicylic acids Benzoic acids Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Butyrophenone - Hydroxybenzoic acid - Salicylic acid - Salicylic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Aryl alkyl ketone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - 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 |
|---|---|---|---|
 G2227713 | Certificate of Analysis | May 19, 2026 | C304646 |
| I2103122 | Certificate of Analysis | Jun 09, 2025 | C304646 |
| I2103123 | Certificate of Analysis | Jun 09, 2025 | C304646 |
| I2103196 | Certificate of Analysis | Jun 09, 2025 | C304646 |
| J2219534 | Certificate of Analysis | Aug 03, 2022 | C304646 |
| J2219535 | Certificate of Analysis | Aug 03, 2022 | C304646 |
| J2219537 | Certificate of Analysis | Aug 03, 2022 | C304646 |
| J2518003 | Certificate of Analysis | Aug 03, 2022 | C304646 |
| Solubility | Soluble in Methanol |
|---|---|
| Melt Point(°C) | 113.0 - 117.0 °C |
| Molecular Weight | 264.320 g/mol |
| XLogP3 | 5.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 264.136 Da |
| Monoisotopic Mass | 264.136 Da |
| Topological Polar Surface Area | 74.600 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 301.000 |
| 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 |
