≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Desiccated,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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488182134 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488182134 |
| Canonical Smiles | COC(=O)C1=CC=C(C=C1)C(=O)O |
| IUPAC Name | 4-methoxycarbonylbenzoic acid |
| InChIKey | REIDAMBAPLIATC-UHFFFAOYSA-N |
| INCHI | 1S/C9H8O4/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-5H,1H3,(H,10,11) |
| Isomeric SMILES | COC(=O)C1=CC=C(C=C1)C(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 180.16 |
| Beilstein | 1911082 |
| Reaxy-Rn | 1911082 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1911082&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 | Phthalic acid and derivatives - Phthalate esters |
| Direct Parent | p-Phthalate esters |
| Alternative Parents | P-phthalic acid and derivatives Benzoic acid esters Benzoic acids Benzoyl derivatives Dicarboxylic acids and derivatives Methyl esters Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Para-phthalic acid ester - Para_phthalic_acid - Benzoate ester - Benzoic acid - Benzoyl - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as p-phthalate esters. These are ester derivatives of p-phthalic acids, which are based on a benzene 1,4-dicarboxylic acid skeleton. |
| 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 |
|---|---|---|---|
 K2125118 | Certificate of Analysis | Sep 08, 2025 | M106178 |
| I2426235 | Certificate of Analysis | Jun 13, 2024 | M106178 |
| B1619057 | Certificate of Analysis | Oct 08, 2023 | M106178 |
| E2326772 | Certificate of Analysis | Apr 26, 2023 | M106178 |
| E2326776 | Certificate of Analysis | Apr 26, 2023 | M106178 |
| E2326777 | Certificate of Analysis | Apr 26, 2023 | M106178 |
| E2327317 | Certificate of Analysis | Apr 26, 2023 | M106178 |
| E2327327 | Certificate of Analysis | Apr 26, 2023 | M106178 |
| F2610066 | Certificate of Analysis | Apr 26, 2023 | M106178 |
| D2318285 | Certificate of Analysis | May 30, 2022 | M106178 |
| D2318296 | Certificate of Analysis | May 30, 2022 | M106178 |
| H2206198 | Certificate of Analysis | May 30, 2022 | M106178 |
| H2206203 | Certificate of Analysis | May 30, 2022 | M106178 |
| H2206252 | Certificate of Analysis | May 30, 2022 | M106178 |
| Solubility | Slightly soluble in water; Soluble in Methanol,Ether,Benzene |
|---|---|
| Melt Point(°C) | 222°C |
| Molecular Weight | 180.160 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 180.042 Da |
| Monoisotopic Mass | 180.042 Da |
| Topological Polar Surface Area | 63.600 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 204.000 |
| 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. Xingmao Zhang, Hang Wang, Qi Wang, Longyu Wang, Hongxiang Cui, Xiaopeng Sun, Jialong Ling, Dongmin Bian, Ziyi Zhang, Chuan-De Wu. (2025) Electrochemical versatility synthesis of functional UiO-66 series heterogeneous membranes for highly efficient salinity gradient energy harvesting. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2025.159847] |
