Bis(methylglycol) phthalate - ≥94% , CAS No.117-82-8

CAS: 117-82-8 Cat. No.: B114419 Peso molecular: 282.29 Beilstein Registry Number: 2056929 Número EC: 204-212-6
Disponible para pedir
GRADE & PURITY ≥94%
Synonyms
Bis(methylglycol) phthalate, analytical standard | NSC2147 | NSC-2147 | Bis(methylglycol) phthalate | Kesscoflex MCP | BRN 2056929 | NSC 2147 | Tox21_303033 | WLN: 1O2OVR BVO2O1 | DTXCID805094 | Di-(2-methoxyethyl)ester kyseliny ftalove [Czech] | Phthalic
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5g
B114419-5g
4
9,90US$
25g
B114419-25g
4
17,90US$
100g
B114419-100g
5
61,90US$
500g
B114419-500g
2
104,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

≥94% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 11 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
Bis(methylglycol) phthalate, analytical standard | NSC2147 | NSC-2147 | Bis(methylglycol) phthalate | Kesscoflex MCP | BRN 2056929 | NSC 2147 | Tox21_303033 | WLN: 1O2OVR BVO2O1 | DTXCID805094 | Di-(2-methoxyethyl)ester kyseliny ftalove [Czech] | Phthalic
Especificaciones y pureza
≥94%
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Pureza
≥94%
Nombres e identificadores
Pubchem Sid488180756
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488180756
Sonrisas canónicasCOCCOC(=O)C1=CC=CC=C1C(=O)OCCOC
IUPAC Namebis(2-methoxyethyl) benzene-1,2-dicarboxylate
InChIKeyHSUIVCLOAAJSRE-UHFFFAOYSA-N
INCHI1S/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
Isómeros SMILES COCCOC(=O)C1=CC=CC=C1C(=O)OCCOC
WGK Alemania 3
RTECS TI1400000
Peso molecular 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=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentBenzoic acid esters
Alternative Parents Benzoyl derivatives  Dicarboxylic acids and derivatives  Carboxylic acid esters  Dialkyl ethers  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic 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
DescripciónThis compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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 NumberCertificate TypeFechaArticulo
J1414019Certificate of AnalysisApr 15, 2026 B114419
B2222142Certificate of AnalysisDec 09, 2025 B114419
B2222146Certificate of AnalysisDec 09, 2025 B114419
B2222147Certificate of AnalysisDec 09, 2025 B114419
G2128025Certificate of AnalysisMay 09, 2025 B114419
E2325034Certificate of AnalysisJan 17, 2022 B114419
E2325051Certificate of AnalysisJan 17, 2022 B114419
Propiedades químicas y físicas
SolubilidadSolubility in water: Practically Insoluble; Degree of Solubility in water: 8 g/l 20 °C; Miscible with Alcohol
Índice de refracción1.503
Punto de inflamación (°F)249.8 °F
Punto de inflamación (°C)121 °C
Punto de ebullición (°C)230°C
Punto de fusión (°C)-45 °C
Peso molecular282.290 g/mol
XLogP31.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass282.11 Da
Monoisotopic Mass282.11 Da
Topological Polar Surface Area71.100 Ų
Heavy Atom Count20
Formal Charge0
Complexity274.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
Referencias
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,  (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]
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