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Diphenyl Phthalate - analytical standard,≥99.5%(GC), high purity , CAS No.84-62-8
Basic Description
Synonyms
InChI=1/C20H14O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h1-14 | DTXCID801778 | 1,2-diphenyl benzene-1,2-dicarboxylate | Diphenyl phthalate, 99% | Tox21_300937 | DWNAQMUDCDVSLT-UHFFFAOYSA-N | DTXSID3021778 | P0305 | NCGC00
Specifications & Purity
analytical standard, ≥99.5%(GC)
Shipped In
Normal
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Depsides and depsidones
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Depsides and depsidones
Alternative Parents
Phenol esters Benzoic acid esters Phenoxy compounds Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acid esters Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Depside backbone - Benzoate ester - Phenol ester - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone).
External Descriptors
diester - phthalate ester
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.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
diphenyl benzene-1,2-dicarboxylate
INCHI
InChI=1S/C20H14O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h1-14H
InChIKey
DWNAQMUDCDVSLT-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2C(=O)OC3=CC=CC=C3
Isomeric SMILES
C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2C(=O)OC3=CC=CC=C3
WGK Germany
2
RTECS
TI1935000
Molecular Weight
318.32
Beilstein
2473390
Reaxy-Rn
2473390
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2473390&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Boil Point(°C)
257°C/14mmHg
Melt Point(°C)
74-76°C
Molecular Weight
318.300 g/mol
XLogP3
4.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
6
Exact Mass
318.089 Da
Monoisotopic Mass
318.089 Da
Topological Polar Surface Area
52.600 Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
381.000
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
1.
Wenhui Li, Xuecheng Zhang, Haojie Zhang, Cheng Zhang, Yingjie Chen, Cong Li, Yonghong Hu, Xiaoping Yu, Biao Zhang, Xiaodong Lin.
(2023)
A Nanozymatic-Mediated Smartphone Colorimetric Sensing Platform for the Detection of Dimethyl Phthalate (DMP) and Dibutyl Phthalate (DBP). Biosensors-Basel,
13
(10):
(919).
2.
Qian Liu, Liulin Wei, Xiaomei Chen, Yidong Xu, Xueyun Gao, Jingchan Zhao.
(2022)
Three-dimensional (3D) thermal controlled polymer for simplified dispersive liquid-liquid microextraction in phthalic acid easters detection of straw. MICROCHEMICAL JOURNAL,
181
(107668).
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,
1667
(462906).
4.
Wei Liulin, Liu Jie, Liu Qian, Chen Xiaomei, Li Zhiqiang, Xu Yidong, Gao Xueyun, Lu Xiaoxiao, Guo Zhian, Zhao Jingchan.
(2022)
Polyhedral Oligomeric Silsesquioxane–Based Hybrid Monolithic Column On-line In-Tube Solid-Phase Microextraction Coupled with High-Performance Liquid Chromatography for the Determination of Five Phthalate Esters in Bottled Water. Food Analytical Methods,
15
(4):
(1107-1117).
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).
6.
Cheng-bin Gong, Yu-bo Wei, Mei-jun Chen, Lan-tao Liu, Cheuk-fai Chow, Qian Tang.
(2018)
Double imprinted photoresponsive polymer for simultaneous detection of phthalate esters in plastics. EUROPEAN POLYMER JOURNAL,
108
(295).
7.
Zhang Jie, Li Tiezhu, Zhang Tiehua, Xue Peiyu, Guan Tianzhu, Yuan Yuan, Yu Hansong.
(2017)
Receptor-Based Fluorescence Polarization Assay to Detect Phthalate Esters in Chinese Spirits. Food Analytical Methods,
10
(5):
(1293-1300).
8.
Jie Zhang, XiaoJia Xing, Yonghai Sun, Zhuolin Li, Peiyu Xue, Tuoyi Wang, Tiezhu Li.
(2016)
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).
9.
Li Han, Cui Yuanyuan, Zhen Changqing, Lin Xiaohui, Li Ke, Yang Chengxiong.
(2025)
Modification of Microporous Organic Network with Amino Acid for HILIC/RPLC Mixed-Mode High-Performance Liquid Chromatography. Journal of Analysis and Testing,
(1-11).
10.
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,
475
(143253).
11.
Chunyan Liu, Yanjuan Liu, Yuefei Zhang, Wei Chen, Sheng Tang.
(2024)
Synergistic expression of ZIF-67 and amphiphilic polymer hydrogel in multi-mode liquid chromatographic separation. SEPARATION AND PURIFICATION TECHNOLOGY,
349
(127827).
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11 Citations
H2304689