Basic Description

Synonyms	NSC8281 \| NSC-8281 \| 2-(Methoxycarbonyl)benzoic acid # \| D 3 (ester) \| DTXSID9040001 \| AM20060631 \| NSC 8281 \| MFCD00002466 \| O-(methoxycarbonyl)benzoate \| CAS-4376-18-5 \| FT-0672488 \| METHYLPHTHALATE \| AR-360/13197749 \| TS-02513 \| MONOMETHYL PHTHALATE \|
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488182618
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488182618
IUPAC Name	2-methoxycarbonylbenzoic acid
INCHI	InChI=1S/C9H8O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3,(H,10,11)
InChIKey	FNJSWIPFHMKRAT-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC=CC=C1C(=O)O
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=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot Number	Certificate Type	Date	Item
B2303473	Certificate of Analysis	Sep 14, 2022	M131640
B2303456	Certificate of Analysis	Sep 14, 2022	M131640
B2303398	Certificate of Analysis	Sep 14, 2022	M131640
B2303471	Certificate of Analysis	Sep 14, 2022	M131640
B2303472	Certificate of Analysis	Sep 14, 2022	M131640
B2303381	Certificate of Analysis	Sep 14, 2022	M131640
L2307163	Certificate of Analysis	Sep 14, 2022	M131640

Chemical and Physical Properties

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 Å²
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

Citations of This Product

How to Cite Aladdin Scientific Products?

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).
2. Wei Liu, Tengfei Wang, Liwen Wang, Yan Wang, Sheng Hu, Dating Tian. (2024) A novel near-infrared fluorescent probe for ultrasensitive and visual detection of mitochondrial viscosity. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 304 (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, 468 (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, 1253 (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, 477 (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, 155 (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).
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, 167 (106266).
9. Peng Zhou, Jing Zhang, Zhaokun Xiong, Yang Liu, Xiaowei Huo, Xin Cheng, Wenshu Li, Feng Cheng, Yongli Zhang. (2020) C60 Fullerol promoted Fe(III)/H2O2 Fenton oxidation: Role of photosensitive Fe(III)-Fullerol complex. APPLIED CATALYSIS B-ENVIRONMENTAL, 265 (118264).
10. Peng Zhou, Jing Zhang, Gucheng Zhang, Wenshu Li, Yang Liu, Xin Cheng, Xiaowei Huo, Yunxin Liu, Yongli Zhang. (2019) Degradation of dimethyl phthalate by activating peroxymonosulfate using nanoscale zero valent tungsten: Mechanism and degradation pathway. CHEMICAL ENGINEERING JOURNAL, 359 (138).
11. Jiarong Qiu,Yueqi Zhang,Yaning Shi,Junwei Jiang,Shenglu Wu,Longxiang Li,Yuting Shao,Zhihong Xin. (2020-01-09) Identification and characterization of a novel phthalate-degrading hydrolase from a soil metagenomic library.. Ecotoxicology and environmental safety, 190 (110148-110148).
12. Yiting Zhou, Jingming Zhou, Yankai Liu, Yumei Chen, Hongliang Liu, Xifang Zhu, Peiyang Ding, Chao Liang, Enping Liu, Sixuan Wu, Aiping Wang. (2025) A novel label-free electrochemical immunosensor based on Ce-MOF@AgAuNPs for highly sensitive detection of monensin. FOOD CONTROL, 168 (110927).
13. 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, 6 (21): (13268-13280).
14. 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, 474 (134776).

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SKU	Size	Availability	Price
M131640-5g	5g	4	$36.90
M131640-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$55.90
M131640-25g	25g	2	$107.90
M131640-100g	100g	1	$292.90

mono-Methyl phthalate - 97%, high purity , CAS No.4376-18-5