≥97% 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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504769476 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504769476 |
| Canonical Smiles | COC(=O)C1=CC=C(C=C1)[O-].[Na+] |
| IUPAC Name | sodium;4-methoxycarbonylphenolate |
| InChIKey | PESXGULMKCKJCC-UHFFFAOYSA-M |
| INCHI | 1S/C8H8O3.Na/c1-11-8(10)6-2-4-7(9)5-3-6;/h2-5,9H,1H3;/q;+1/p-1 |
| Isomeric SMILES | COC(=O)C1=CC=C(C=C1)[O-].[Na+] |
| WGK Germany | 1 |
| Molecular Weight | 174.13 |
| Reaxy-Rn | 4165000 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4165000&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acid esters |
| Alternative Parents | Benzoyl derivatives Phenoxides Methyl esters Monocarboxylic acids and derivatives Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoate ester - Benzoyl - Phenoxide - Methyl ester - Carboxylic acid ester - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. |
| 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 |
|---|---|---|---|
 L2109151 | Certificate of Analysis | Sep 09, 2025 | M140627 |
| K2004120 | Certificate of Analysis | Aug 20, 2024 | M140627 |
| K2004121 | Certificate of Analysis | Aug 20, 2024 | M140627 |
| K2004122 | Certificate of Analysis | Aug 20, 2024 | M140627 |
| D2320133 | Certificate of Analysis | Apr 27, 2023 | M140627 |
| D2320145 | Certificate of Analysis | Apr 27, 2023 | M140627 |
| B2306860 | Certificate of Analysis | Feb 11, 2023 | M140627 |
| Sensitivity | Moisture sensitive. |
|---|---|
| Melt Point(°C) | >125°C |
| Molecular Weight | 174.130 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 174.029 Da |
| Monoisotopic Mass | 174.029 Da |
| Topological Polar Surface Area | 49.400 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 141.000 |
| 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 | 2 |
| 1. Kexin Fan, Jiayang Zeng, Chenyu Yang, Gonglei Wang, Kai Lian, Xiuhong Zhou, Yaping Deng, Guozhen Liu. (2022) Digital Quantification Method for Sensitive Point-of-Care Detection of Salivary Uric Acid Using Smartphone-Assisted μPADs. ACS Sensors, [PMID:35820152] [10.1021/acssensors.2c00854] |
| 2. Yaoping Guo, Keng Xuan, Yifan Li, Chenxi Pu, Zequan Zeng, Zhanggen Huang, Yadan Guo, Hao Ruan, Jiale Li. (2022) Effect of activation time on sulfur-doped porous carbon for efficient degradation of organic pollutants with persulfate. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, [PMID:] [10.1016/j.colsurfa.2022.129612] |
| 3. Yaoping Guo, Keng Xuan, Chenxi Pu, Yifan Li, Yaxiong Huang, Yadan Guo, Meiyu Jia, Jiale Li, Hao Ruan. (2022) Effect of activator/precursor mass ratio on sulfur-doped porous carbon for catalytic oxidation of aqueous organics with persulfate. CHEMOSPHERE, [PMID:35660400] [10.1016/j.chemosphere.2022.135192] |
