≥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 17 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488182618 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488182618 |
| Canonical Smiles | COC(=O)C1=CC=CC=C1C(=O)O |
| IUPAC Name | 2-methoxycarbonylbenzoic acid |
| InChIKey | FNJSWIPFHMKRAT-UHFFFAOYSA-N |
| INCHI | 1S/C9H8O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3,(H,10,11) |
| Isomeric SMILES | COC(=O)C1=CC=CC=C1C(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 180.16 |
| Beilstein | 2048766 |
| Reaxy-Rn | 2048766 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2048766&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 | Benzoic acids Benzoyl derivatives Dicarboxylic acids and derivatives Methyl esters Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 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 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 |
|---|---|---|---|
 C2613062 | Certificate of Analysis | Mar 23, 2026 | M131640 |
| C2613063 | Certificate of Analysis | Mar 18, 2026 | M131640 |
| C2613064 | Certificate of Analysis | Mar 18, 2026 | M131640 |
| J2129092 | Certificate of Analysis | Aug 11, 2025 | M131640 |
| B2303381 | Certificate of Analysis | Sep 14, 2022 | M131640 |
| B2303398 | Certificate of Analysis | Sep 14, 2022 | M131640 |
| B2303456 | Certificate of Analysis | Sep 14, 2022 | M131640 |
| B2303471 | Certificate of Analysis | Sep 14, 2022 | M131640 |
| B2303472 | Certificate of Analysis | Sep 14, 2022 | M131640 |
| B2303473 | Certificate of Analysis | Sep 14, 2022 | M131640 |
| H2501110 | Certificate of Analysis | Sep 14, 2022 | M131640 |
| L2307163 | Certificate of Analysis | Sep 14, 2022 | M131640 |
| Solubility | Insoluble in water. |
|---|---|
| Melt Point(°C) | 82-84°C |
| Molecular Weight | 180.160 g/mol |
| XLogP3 | 1.100 |
| 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 | 212.000 |
| 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. Zhao Zhenzhen, Liu Yanfeng, Liu Chao, Xu Qianqian, Song Meijie, Yan Hai. (2023) Whole-genome analysis of Comamonas sp. USTBZA1 for biodegrading diethyl phthalate. 3 Biotech, 13 (10): (1-11). [PMID:37670801] [10.1007/s13205-023-03736-3] |
| 2. Wei Liu, Tengfei Wang, Liwen Wang, Yan Wang, Sheng Hu, Dating Tian. (2023) A novel near-infrared fluorescent probe for ultrasensitive and visual detection of mitochondrial viscosity. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, [PMID:37683438] [10.1016/j.saa.2023.123329] |
| 3. Ying Zhang, Yunhai Chen, Dianwei Zhang, Huilin Liu, Baoguo Sun. (2023) Peptide nanodots-bridged metal-organic framework (PNMOF): Intelligently design a cascade amplification platform for smartphone-facilitated mobile fluorescence imaging detection of pyrethroids. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2023.143690] |
| 4. Wei Liu, Yan Wang, Tengfei Wang, Liwen Wang, Sheng Hu, Dating Tian. (2023) A versatile AIE probe with mitochondria targeting for dual-channel detection of superoxide anion and viscosity. ANALYTICA CHIMICA ACTA, [PMID:36965989] [10.1016/j.aca.2023.341099] |
| 5. Xiaofang Che, Yong Huang, Tianzhu Shen, Keyuan Zhong, You Wei, Guoqiang Fan, Kun Jia, Wei Yuan, Huiqiang Lu. (2022) Effect of monosultap on notochord development in zebrafish (Danio rerio) embryos. TOXICOLOGY, [PMID:35933024] [10.1016/j.tox.2022.153276] |
| 6. Yue Leng, Li Ren, Shu Niu, Tiehua Zhang, Jie Zhang. (2021) In vitro and in silico investigations of endocrine disruption induced by metabolites of plasticizers through glucocorticoid receptor. FOOD AND CHEMICAL TOXICOLOGY, [PMID:34273429] [10.1016/j.fct.2021.112413] |
| 7. Xuejun Wang, Si Shen, Hao Wu, Haixia Wang, Lvjing Wang, Zhenmei Lu. (2021) Acinetobacter tandoii ZM06 Assists Glutamicibacter nicotianae ZM05 in Resisting Cadmium Pressure to Preserve Dipropyl Phthalate Biodegradation. Microorganisms, 9 (7): (1417). [PMID:34209156] [10.3390/microorganisms9071417] |
| 8. Luxiu Li, Ya Cui, Lingling Ren, Chunyang Li, Yehao Liu, Zhongxiu Jin. (2021) Magnetic dummy molecularly imprinted polymer nanoparticles as sorbent for dispersive solid-phase microextraction of phthalate monoesters in human urine samples. MICROCHEMICAL JOURNAL, [PMID:] [10.1016/j.microc.2021.106266] |
| 9. Peng Zhou, Jing Zhang, Zhaokun Xiong, Yang Liu, Xiaowei Huo, Xin Cheng, Wenshu Li, Feng Cheng, Yongli Zhang. (2019) C60 Fullerol promoted Fe(III)/H2O2 Fenton oxidation: Role of photosensitive Fe(III)-Fullerol complex. APPLIED CATALYSIS B-ENVIRONMENTAL, [PMID:] [10.1016/j.apcatb.2019.118264] |
| 10. Peng Zhou, Jing Zhang, Gucheng Zhang, Wenshu Li, Yang Liu, Xin Cheng, Xiaowei Huo, Yunxin Liu, Yongli Zhang. (2018) Degradation of dimethyl phthalate by activating peroxymonosulfate using nanoscale zero valent tungsten: Mechanism and degradation pathway. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2018.11.123] |
| 11. Yiting Zhou, Jingming Zhou, Yankai Liu, Yumei Chen, Hongliang Liu, Xifang Zhu, Peiyang Ding, Chao Liang, Enping Liu, Sixuan Wu, Aiping Wang. (2024) A novel label-free electrochemical immunosensor based on Ce-MOF@AgAuNPs for highly sensitive detection of monensin. FOOD CONTROL, [PMID:] [10.1016/j.foodcont.2024.110927] |
| 12. Sheng Cao, Shuming Zhang, Manchao Liu, Mirjavid Heydaroglu, Chengping Wen, Juan Sun, Yongjiang Wang, Min Yu, Xiaoyu Han. (2024) Mechanically Robust and Highly Stretchable Acrylated Glycerol Polyether Elastomers for Vat Photopolymerization 3D Printing. ACS Applied Polymer Materials, [PMID:] [10.1021/acsapm.4c02560] |
| 13. Zhengyu Hou, Hejuan Pan, Mengjie Gu, Xiaowang Chen, Tongtong Ying, Pei Qiao, Junwei Cao, Haixia Wang, Tong Hu, Lianbao Zheng, Weihong Zhong. (2024) Simultaneously degradation of various phthalate esters by Rhodococcus sp. AH-ZY2: Strain, omics and enzymatic study. JOURNAL OF HAZARDOUS MATERIALS, [PMID:38852255] [10.1016/j.jhazmat.2024.134776] |
| 14. Li Fangfang, Duan Xizhao, Zhou Jiahao, Feng Siyue, Du Wei, He Xinhua, Peng Hongbo, Li Hao, Ahmad Shakeel, Pan Bo. (2025) Inhibited vertical mobility of biochar-derived dissolved organic matter under low-intensity rainfall: role of mineral retention. Biochar, 7 (1): (1-11). [PMID:] [10.1007/s42773-025-00484-w] |
| 15. Jiarong Qiu, Yueqi Zhang, Yaning Shi, Junwei Jiang, Shenglu Wu, Longxiang Li, Yuting Shao, Zhihong Xin. (2020) Identification and characterization of a novel phthalate-degrading hydrolase from a soil metagenomic library. ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, [PMID:31911388] [10.1016/j.ecoenv.2019.110148] |
| 16. Yu-Han Yuan, Gui-Fang Li, Shuang-Lin Cai, Jin-Wei Yan, Jia Liang, Hai Huang, Long-Long Jin, Ye Zeng, Jian-Chun Weng, Xiao-Hong Fan, Yi Li, Ding-Rong Deng, Qi-Hui Wu. (2025) Ion replacement to construct coral-like montmorillonite/manganese-cobalt bimetallic oxide for high-performance supercapacitors with aqueous electrolyte. ELECTROCHIMICA ACTA, [PMID:] [10.1016/j.electacta.2025.146515] |
| 17. Hong-Jia Huang, Dan Huang, Jiang-Bing Qiu, Si-Ying Li, Qing Han, Cai-Qin Cheng, Hao-Yun Zhang, Zong-Di Wang, Yi-Tong Huang, Li-Gong Zou, Ce-Hui Mo, Hong-Ye Li, Wei-Dong Yang, Nai-Xian Feng, Da-Wei Li. (2026) Deciphering the molecular pathways underlying di(2-ethylhexyl) phthalate degradation and metabolic adaptation in Alexandrium pacificum. JOURNAL OF HAZARDOUS MATERIALS, [PMID:] [10.1016/j.jhazmat.2026.141718] |
