≥98% 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.
Phenylpropiolic acid can:React with 2-tert-butoxypyridine in the presence of boron trifluoride·diethyl etherate to form the corresponding tert-butyl ester.Undergo decarboxylative coupling with aryl halides such as p-chloroiodobenzene and 1-chloro-4-iodobenzene.Undergo halodecarboxylation to form 1-haloalkynes.
| Pubchem Sid | 488184330 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184330 |
| Canonical Smiles | C1=CC=C(C=C1)C#CC(=O)O |
| IUPAC Name | 3-phenylprop-2-ynoic acid |
| InChIKey | XNERWVPQCYSMLC-UHFFFAOYSA-N |
| INCHI | 1S/C9H6O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H,10,11) |
| Isomeric SMILES | C1=CC=C(C=C1)C#CC(=O)O |
| WGK Germany | 3 |
| PubChem CID | 69475 |
| Molecular Weight | 146.15 |
| Beilstein | 9633 |
| Reaxy-Rn | 742587 |
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 | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Monocarboxylic acid or derivatives - Carboxylic acid - 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 benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| 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 |
|---|---|---|---|
 G2431113 | Certificate of Analysis | May 11, 2026 | P133964 |
| E2406496 | Certificate of Analysis | Feb 05, 2026 | P133964 |
| E2406495 | Certificate of Analysis | Feb 05, 2026 | P133964 |
| E2406194 | Certificate of Analysis | Feb 05, 2026 | P133964 |
| E2406187 | Certificate of Analysis | Feb 05, 2026 | P133964 |
| C2406460 | Certificate of Analysis | Dec 16, 2025 | P133964 |
| C2406473 | Certificate of Analysis | Dec 16, 2025 | P133964 |
| C2406472 | Certificate of Analysis | Dec 16, 2025 | P133964 |
| C2406468 | Certificate of Analysis | Dec 16, 2025 | P133964 |
| C2406467 | Certificate of Analysis | Dec 16, 2025 | P133964 |
| E2329197 | Certificate of Analysis | Mar 03, 2025 | P133964 |
| E2329204 | Certificate of Analysis | Mar 03, 2025 | P133964 |
| E2329208 | Certificate of Analysis | Mar 03, 2025 | P133964 |
| E2329217 | Certificate of Analysis | Mar 03, 2025 | P133964 |
| E2329218 | Certificate of Analysis | Mar 03, 2025 | P133964 |
| E2329219 | Certificate of Analysis | Mar 03, 2025 | P133964 |
| E2329221 | Certificate of Analysis | Mar 03, 2025 | P133964 |
| E2329226 | Certificate of Analysis | Mar 03, 2025 | P133964 |
| C2406461 | Certificate of Analysis | Mar 18, 2024 | P133964 |
| F2512253 | Certificate of Analysis | Mar 18, 2024 | P133964 |
| K2104540 | Certificate of Analysis | Aug 07, 2023 | P133964 |
| K2104542 | Certificate of Analysis | Aug 07, 2023 | P133964 |
| G23041046 | Certificate of Analysis | May 18, 2023 | P133964 |
| H2111052 | Certificate of Analysis | May 12, 2023 | P133964 |
| G2429080 | Certificate of Analysis | May 09, 2023 | P133964 |
| Solubility | Soluble in water.Soluble in methanol |
|---|---|
| Melt Point(°C) | 135-138℃ |
| Molecular Weight | 146.140 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 146.037 Da |
| Monoisotopic Mass | 146.037 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 200.000 |
| 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. Yang Wenjuan, Tang Sidi, Xu Rubing, Zhang Lu, Zhou Zihao, Yang Yong, Li Yanyan, Xiang Haibo. (2024) LC-MS based metabolomics identification of natural metabolites against Fusarium oxysporum. Frontiers in Plant Science, [PMID:39290733] [10.3389/fpls.2024.1435963] |
