GRADE & PURITY Analytical standard, for Environmental analysis

Synonyms

BIS(2-METHOXYETHYL) PHTHALATE|117-82-8|Kesscoflex MCP|Dimethoxyethyl phthalate|2-Methoxyethyl phthalate|Di(2-methoxyethyl)phthalate|Dimethylglycol phthalate|Bis(methoxyethyl) phthalate|Kodaflex DMEP|Methyl glycol phthalate|Di(2-methoxyethyl) phthalate|Dim

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

BIS(2-METHOXYETHYL) PHTHALATE | 117-82-8 | Kesscoflex MCP | Dimethoxyethyl phthalate | 2-Methoxyethyl phthalate | Di(2-methoxyethyl)phthalate | Dimethylglycol phthalate | Bis(methoxyethyl) phthalate | Kodaflex DMEP | Methyl glycol phthalate | Di(2-methoxyethyl) phthalate | Dim

Specifications & Purity

analytical standard, for environmental analysis

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard, for Environmental analysis

Names and Identifiers

• Canonical Smiles: COCCOC(=O)C1=CC=CC=C1C(=O)OCCOC
• IUPAC Name: bis(2-methoxyethyl) benzene-1,2-dicarboxylate
• InChIKey: HSUIVCLOAAJSRE-UHFFFAOYSA-N
• INCHI: 1S/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3
• Isomeric SMILES: COCCOC(=O)C1=CC=CC=C1C(=O)OCCOC
• WGK Germany: 3
• RTECS: TI1400000
• Molecular Weight: 282.29
• Beilstein: 2056929
• Reaxy-Rn: 2056929
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2056929&ln=

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: Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acid esters Dialkyl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Benzoyl - Dicarboxylic acid or derivatives - Carboxylic acid ester - Ether - Dialkyl ether - 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

Data sources

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

Associated Targets(Human)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.503
• Flash Point(°F): 249.8 °F
• Flash Point(°C): 121 °C
• Boil Point(°C): 230°C
• Melt Point(°C): -45 °C
• Molecular Weight: 282.290 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 282.11 Da
• Monoisotopic Mass: 282.11 Da
• Topological Polar Surface Area: 71.100 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 274.000
• 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

References

1. Min Wang, Haibo Wang, Chisheng Hu, Jianmian Deng, Baoyou Shi.  (2023)  Phthalate acid esters promoted the enrichment of chlorine dioxide-resistant bacteria and their functions related to human diseases in rural polyvinyl chloride distribution pipes.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:37406691] [10.1016/j.scitotenv.2023.165282]

2. Jia Cheng Qian, Dan Liu, Li Ping Lin, Wen Jing Zhu, Ren Xiang Tan.  (2022)  Minor bioactive indoles from kimchi mirror the regioselectivity in indole-3-carbinol oligomerization.  FOOD CHEMISTRY,      [PMID:35245758] [10.1016/j.foodchem.2022.132571]

3. Shasha Zhang, Ran Wang, Yijing Wu, Zhuling Chen, Ping Tong, Yu He, Zian Lin, Zongwei Cai.  (2022)  One-pot synthesis of magnetic covalent organic frameworks for highly efficient enrichment of phthalate esters from fine particulate matter.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:35202922] [10.1016/j.chroma.2022.462906]

4. Wen Jing Zhu, Li Ping Lin, Dan Liu, Jia Cheng Qian, Bei Bei Zhou, Dan Dan Yuan, Ren Xiang Tan.  (2021)  Pharmacophore-inspired discovery of FLT3 inhibitor from kimchi.  FOOD CHEMISTRY,      [PMID:34062461] [10.1016/j.foodchem.2021.130139]

5. Leng Yue, Sun Yonghai, Huang Wei, Lv Chengyu, Cui Jingyan, Li Tiezhu, Wang Yongjun.  (2021)  Identification of dicyclohexyl phthalate as a glucocorticoid receptor antagonist by molecular docking and multiple in vitro methods.  MOLECULAR BIOLOGY REPORTS,  48  (4): (3145-3154).  [PMID:33881729] [10.1007/s11033-021-06303-2]

6. Heng Yang, Weihua Li, Xiaoyan Liu, Ang Liu, Peng Hang, Rui Ding, Tianyu Li, Yumei Zhang, Wei Wang, Chuansheng Xiong.  (2019)  Preparation of corrosion inhibitor loaded zeolites and corrosion resistance of carbon steel in simulated concrete pore solution.  CONSTRUCTION AND BUILDING MATERIALS,      [PMID:] [10.1016/j.conbuildmat.2019.07.141]

7. Jiqin Chen, Chunhui Shen, Shanjun Gao, Yuan Yuan, Xuechao Ren.  (2017)  Novel imidazole-grafted hybrid anion exchange membranes based on poly(2,6-dimethyl-1,4-phenylene oxide) for fuel cell applications.  JOURNAL OF APPLIED POLYMER SCIENCE,  135  (12): (46034).  [PMID:] [10.1002/app.46034]

8. Zhang Jie, Li Tiezhu, Zhang Tiehua, Xue Peiyu, Guan Tianzhu, Yuan Yuan, Yu Hansong.  (2016)  Receptor-Based Fluorescence Polarization Assay to Detect Phthalate Esters in Chinese Spirits.  Food Analytical Methods,  10  (5): (1293-1300).  [PMID:] [10.1007/s12161-016-0682-4]

9. Jie Zhang, XiaoJia Xing, Yonghai Sun, Zhuolin Li, Peiyu Xue, Tuoyi Wang, Tiezhu Li.  (2015)  Characterization of the binding between phthalate esters and mouse PPARα for the development of a fluorescence polarization-based competitive binding assay.  Analytical Methods,  8  (4): (880-885).  [PMID:] [10.1039/C5AY03053F]

10. Haibo Wang, Min Wang, Yukang Li, Xinyuan Yang, Xueci Xing, Baoyou Shi.  (2025)  Chlorination enhances the phthalates release and increases the cytotoxicity and bacterial functions related to human disease of drinking water in plastic pipes.  WATER RESEARCH,      [PMID:39908590] [10.1016/j.watres.2025.123218]

11. Yaqiong Qin, Kunling Liu, Cong Nie, Fuwei Xie, Xiaoyu Wang, Ashraf Ali, Bing Wang, Qunye Hong, Wenjie Zhao.  (2025)  One pot preparation of magnetic benzylated cyclodextrin-based hyper-cross-linked polymer for phthalate esters extraction from tea beverages.  FOOD CHEMISTRY,      [PMID:39938268] [10.1016/j.foodchem.2025.143253]