Basic Description

Synonyms	DIALLYL PHTHALATE \| 131-17-9 \| Allyl phthalate \| Diallylphthalate \| Dapon 35 \| Dapon R \| Phthalic acid, diallyl ester \| 1,2-Benzenedicarboxylic acid, di-2-propenyl ester \| Phthalic Acid Diallyl Ester \| o-Phthalic acid, diallyl ester \| NCI-C50657 \| 1,2-Benzenedicarboxylic acid,
Specifications & Purity	CP
Shipped In	Normal
Grade	CP

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 Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoate ester - Benzoyl - Dicarboxylic acid or derivatives - Carboxylic acid ester - 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

Associated Targets(Human)

CXCL8 Tchem Interleukin-8 (642 Activities)

Discover Target: CXCL8

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

Associated Targets(non-human)

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

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	488180830
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488180830
IUPAC Name	bis(prop-2-enyl) benzene-1,2-dicarboxylate
INCHI	InChI=1S/C14H14O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-8H,1-2,9-10H2
InChIKey	QUDWYFHPNIMBFC-UHFFFAOYSA-N
Smiles	C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C
Isomeric SMILES	C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C
WGK Germany	2
RTECS	CZ4200000
UN Number	3082
Packing Group	III
Molecular Weight	246.26
Beilstein	1880877
Reaxy-Rn	1880877
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1880877&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.

6 results found

Lot Number	Certificate Type	Date	Item
A2431200	Certificate of Analysis	Feb 04, 2024	D105988
D2127090	Certificate of Analysis	Feb 08, 2023	D105988
C2225026	Certificate of Analysis	Apr 07, 2022	D105988
G1823085	Certificate of Analysis	Mar 08, 2022	D105988
B2302354	Certificate of Analysis	May 06, 2021	D105988
D2127089	Certificate of Analysis	May 06, 2021	D105988

Chemical and Physical Properties

Refractive Index	1.52
Flash Point(°F)	330.8 °F
Flash Point(°C)	165.5℃
Boil Point(°C)	165-167°C
Molecular Weight	246.260 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	246.089 Da
Monoisotopic Mass	246.089 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	290.000
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. Yifu Chen, Siwu Wu, Jianguo Mi, Ming Tian, Mingying Liang, Jialiang Chen, Zhenghai Tang, Wenjie Wu, Baochun Guo, Liqun Zhang. (2023) Spatial Structure Design toward Dielectric Elastomers by Separating Charge Centers in Chain Segments. MACROMOLECULES, 56 (24): (10264–10273).
2. Changqing Yu, Tiantian Xie, Sihan Liu, Ligai Bai. (2024) Fabrication of a biochar-doped monolithic adsorbent and its application for the extraction and determination of coumarins from Angelicae Pubescentis Radix. JOURNAL OF CHROMATOGRAPHY A, 1714 (464564).
3. Juntao Wang, Jiajia Liu, Weihua Liu, Ziwang Liu, Qiuhua Wu, Zhi Wang, Hongyuan Yan. (2023) A phenyl-functionalized nitrogen-rich magnetic hyper crosslinked polymer for magnetic solid-phase extraction of 5-nitroimidazoles residues in water and fish samples. MICROCHEMICAL JOURNAL, 191 (108936).
4. Zhefei Hu, Yanhao Jiang, Panpan Cao, Yanjuan Liu, Yuefei Zhang, Wei Chen, Sheng Tang. (2023) Performance evaluation of 2-undecylimidazole/propyl methacrylate bifunctional silica gel for mixed-mode reversed-phase/anion-exchange chromatography. MICROCHEMICAL JOURNAL, 191 (108768).
5. Yalan Hu, Youyou Li, Yueru Shi, Yixin Kuang, Suxin Zhou, Yuan Peng, Yuefan Liu, Luyi Chen, Ningbo Zhou, Juan Zheng, Fang Zhu, Gangfeng Ouyang. (2023) A robust and ultra-high-surface hydrogen-bonded organic framework promoting high-efficiency solid phase microextraction of multiple persistent organic pollutants from beverage and tea. FOOD CHEMISTRY, 415 (135790).
6. Linna Guo, Miao Tian, Lijuan Wang, Xin Zhou, Qianqian Wang, Lin Hao, Qiuhua Wu, Zhi Wang, Chun Wang. (2023) Synthesis of hydroxyl-functional magnetic hypercrosslinked polymer as high efficiency adsorbent for sensitively detecting neonicotinoid residues in water and lettuce samples. MICROCHEMICAL JOURNAL, 187 (108412).
7. Yan Wu, Panpan Cao, Yanhao Jiang, Yanjuan Liu, Yuefei Zhang, Wei Chen, Zhengwu Bai, Sheng Tang. (2022) Ingenious introduction of aminopropylimidazole to tune the hydrophobic selectivity of dodecyl-bonded stationary phase for environmental organic pollutants. MICROCHEMICAL JOURNAL, 182 (107933).
8. Zhuo Wang, Xinyue Zhang, Qian Yang, Shuaihua Zhang, Guifen Chang, Xiaohuan Zang, Chun Wang, Zhi Wang. (2022) Covalent triazine-based frameworks for efficient solid-phase microextraction of phthalic acid esters from food-contacted plastics. JOURNAL OF CHROMATOGRAPHY A, 1681 (463474).
9. Yalan Hu, Yueru Shi, Yuefan Liu, Yixin Kuang, Suxin Zhou, Luyi Chen, Sai Ouyang, Ningbo Zhou, Juan Zheng, Gangfeng Ouyang. (2022) High-surface β-Ketoenamine linked covalent organic framework driving broad-spectrum solid phase microextraction on multi-polar aromatic esters. ANALYTICA CHIMICA ACTA, 1220 (340040).
10. Fangyuan Hou, Qingyun Chang, Nana Wan, Jie Li, Xiaohuan Zang, Shuaihua Zhang, Chun Wang, Zhi Wang. (2022) A novel porphyrin-based conjugated microporous nanomaterial for solid-phase microextraction of phthalate esters residues in children's food. FOOD CHEMISTRY, 388 (133015).
11. Yan Wu, Kaixing Luo, Yanjuan Liu, Wei Chen, Zhengwu Bai, Sheng Tang. (2022) Innovative preparation of ureido/dodecyl dual-functionalized silica as a versatile mixed-mode stationary phase for high-resolution chromatographic separations. JOURNAL OF CHROMATOGRAPHY A, 1665 (462834).
12. Xingqi Zhu, Lu Jiang, Yizhou Tu, Yuansong Tian, Guizhou Xu, Daishe Wu, Aimin Li, Xianchuan Xie. (2022) In situ monitoring of phthalate esters (PAEs) pollution and environmental risk assessment in Poyang Lake Basin by DGT Technology using cyclodextrin polymer as binding phase. SCIENCE OF THE TOTAL ENVIRONMENT, 808 (151892).
13. Mingxia Sun, Juanjuan Feng, Jiaqing Feng, Haili Sun, Yang Feng, Xiangping Ji, Chunying Li, Sen Han, Min Sun. (2022) Biochar nanosphere- and covalent organic framework nanosphere-functionalized titanium dioxide nanorod arrays on carbon fibers for solid-phase microextraction of organic pollutants. CHEMICAL ENGINEERING JOURNAL, 433 (133645).
14. Yan-hong Liu, Xiao-guang Ma, Li-ye Zhu, Meng Li, Xiao-xia Ren, Man Zhang. (2021) Preparation and fluorescence characterization of monodisperse core-shell structure SiO2@SiO2:Tb(1,2-BDC)3phen microspheres by a sol-seed method. LUMINESCENCE, 36 (8): (1901-1909).
15. 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).
16. Min Sun, Juanjuan Feng, Xiangping Ji, Chunying Li, Sen Han, Mingxia Sun, Yang Feng, Jiaqing Feng, Haili Sun. (2021) Polyaniline/titanium dioxide nanorods functionalized carbon fibers for in-tube solid-phase microextraction of phthalate esters prior to high performance liquid chromatography-diode array detection. JOURNAL OF CHROMATOGRAPHY A, 1642 (462003).
17. Herman Maloko Loussala, Sen Han, Juanjuan Feng, Min Sun, Jiaqing Feng, Jing Fan, Meishan Pei. (2020) Mesoporous silica hybridized by ordered mesoporous carbon for in-tube solid-phase microextraction. JOURNAL OF SEPARATION SCIENCE, 43 (18): (3655-3664).
18. Qianqian Wang, Weihua Liu, Lin Hao, Chun Wang, Qiuhua Wu, Zhi Wang. (2020) Fabrication of magnetic porous organic framework for effective enrichment and assay of nitroimidazoles in chicken meat. FOOD CHEMISTRY, 332 (127427).
19. Wang Qianqian, Li Gaigai, Wang Chun, Wu Qiuhua, Wang Zhi. (2020) Layered porous organic frameworks as a novel adsorbent for the solid phase extraction of chlorophenols prior to their determination by HPLC-DAD. MICROCHIMICA ACTA, 187 (4): (1-11).
20. Huihua Guo, Naizhong Song, Dongze Wang, Jiutong Ma, Qiong Jia. (2019) A modulation approach for covalent organic frameworks: Application to solid phase microextraction of phthalate esters. TALANTA, 198 (277).
21. Yanling Huang, Yue Lin, Fang Luo, Peilong Wang, Jian Wang, Bin Qiu, Longhua Guo, Zhenyu Lin. (2019) Rapid detection of dibutyl phthalate in liquor by a semi-quantitative multicolor immunosensor with naked eyes as readout. Analytical Methods, 11 (4): (524-529).
22. Shuaihua Zhang, Qian Yang, Zhi Li, Wenjin Wang, Xiaohuan Zang, Chun Wang, Zhi Wang. (2018) Solid phase microextraction of phthalic acid esters from vegetable oils using iron (III)-based metal-organic framework/graphene oxide coating. FOOD CHEMISTRY, 263 (258).
23. Xinyu Liang, Juntao Wang, Qiuhua Wu, Chun Wang, Zhi Wang. (2018) Use of a hypercrosslinked triphenylamine polymer as an efficient adsorbent for the enrichment of phenylurea herbicides. JOURNAL OF CHROMATOGRAPHY A, 1538 (1).
24. Song Yuhong, Ma Ruiyang, Jiao Caina, Hao Lin, Wang Chun, Wu Qiuhua, Wang Zhi. (2018) Magnetic mesoporous polymelamine-formaldehyde resin as an adsorbent for endocrine disrupting chemicals. MICROCHIMICA ACTA, 185 (1): (1-8).
25. Wanzhen Xu, Xiaoming Zhang, Weihong Huang, Yu Luan, Yanfei Yang, Maiyong Zhu, Wenming Yang. (2017) Synthesis of surface molecular imprinted polymers based on carboxyl-modified silica nanoparticles with the selective detection of dibutyl phthalate from tap water samples. APPLIED SURFACE SCIENCE, 426 (1075).
26. Xinyu Liang, Juntao Wang, Juanjuan Wu, Qiuhua Wu, Chun Wang, Zhi Wang. (2017) Phytic acid induced three-dimensional graphene for the enrichment of phthalate esters from bottled water and sports beverage samples. JOURNAL OF SEPARATION SCIENCE, 40 (18): (3710-3717).
27. Wu Juanjuan, Liang Xinyu, Hao Lin, Wang Chun, Wu Qiuhua, Wang Zhi. (2017) Graphene oxide cross-linked with phytic acid: an efficient adsorbent for the extraction of carbamates. MICROCHIMICA ACTA, 184 (10): (3773-3779).
28. Jiao Caina, Ma Ruiyang, Li Menghua, Hao Lin, Wang Chun, Wu Qiuhua, Wang Zhi. (2017) Magnetic cobalt-nitrogen-doped carbon microspheres for the preconcentration of phthalate esters from beverage and milk samples. MICROCHIMICA ACTA, 184 (8): (2551-2559).
29. 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).
30. Lu Hu, Wanyu Shan, Ying Zhang, Songqing Li, Haixiang Gao, Runhua Lu, Sanbing Zhang, Wenfeng Zhou. (2016) Liquid phase microextraction based on the solidification of a floating ionic liquid combined with high-performance liquid chromatography for the preconcentration of phthalate esters in environmental waters and in bottled beverages. RSC Advances, 6 (43): (36223-36230).
31. Weiqian Liang, Juntao Wang, Xiaohuan Zang, Chun Wang, Zhi Wang. (2016) A porous carbon derived from amino-functionalized material of Institut Lavoisier as a solid-phase microextraction fiber coating for the extraction of phthalate esters from tea. JOURNAL OF SEPARATION SCIENCE, 39 (7): (1331-1338).
32. 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).
33. Xingli Liu, Chun Wang, Qiuhua Wu, Zhi Wang. (2015) Porous carbon derived from a metal–organic framework as an efficient adsorbent for the solid-phase extraction of phthalate esters. JOURNAL OF SEPARATION SCIENCE, 38 (22): (3928-3935).
34. Li Liu, Yunhui Hao, Yiqian Ren, Chun Wang, Qiuhua Wu, Zhi Wang. (2015) Magnetic nanoporous carbon as an adsorbent for the extraction of phthalate esters in environmental water and aloe juice samples. JOURNAL OF SEPARATION SCIENCE, 38 (8): (1411-1418).
35. Meng Sun, Ranxiao Tang, Qiuhua Wu, Chun Wang, Zhi Wang. (2013) Graphene reinforced hollow fiber liquid-phase microextraction for the determination of phthalates in water, juice and milk samples by HPLC. Analytical Methods, 5 (20): (5694-5700).
36. Xiumin Yang,Junmin Wang,Wenjin Wang,Shuaihua Zhang,Chun Wang,Junhong Zhou,Zhi Wang. (2019-02-02) Solid phase microextraction of polycyclic aromatic hydrocarbons by using an etched stainless-steel fiber coated with a covalent organic framework.. Mikrochimica acta, 186 ((3)): (145-145).
37. Yaxing Guo,Ruiyang Ma,Weihua Liu,Lin Hao,Qiuhua Wu,Zhi Wang. (2020-05-10) Facile synthesis of conjugated microporous polymer with spherical structure for solid phase extraction of phenyl urea herbicides.. Journal of chromatography. A, 1622 (461131-461131).
38. Zhiquan An, Xiaoyu Jian, Wenjun Hong, Xilong Zhang, Jiateng Ma, Minjie Li, Bihong Zhang, Liang-Hong Guo. (2025) An ultrasensitive free-of-electronic sacrificial agent photoelectrochemical aptasensor for the detection of dibutyl phthalate based on Z-scheme p-n Bi-doped BiOI/Bi2S3 heterojunction. TALANTA, 282 (126997).
39. Ying Zhang, Yidan Wang, Baoqing Bai, Xu Jing, Ligang Yu, Jinhua Zhang, Tao Bo, Huilin Liu, Ying Gu, Yukun Yang. (2025) Bimetallic lanthanide metal–organic framework supported ratiometric molecularly imprinted fluorescence sensor: An innovation for selective and visual detection of dimethyl phthalate. FOOD CHEMISTRY, 476 (143373).
40. Guijiao Zhao, Chenhuan Wang, Min Kang, Lin Hao, Weihua Liu, Zhi Wang, Xiaodong Shi, Qiuhua Wu. (2024) Construction of magnetic azo-linked porous polymer for highly-efficient enrichment and separation of phenolic endocrine disruptors from environmental water and fish. FOOD CHEMISTRY, 445 (138698).
41. Min Sun, Jiaqing Feng, Yang Feng, Xubo Xin, Yali Ding, Juanjuan Feng. (2024) Core-shell silica@pyridyl conjugated microporous polymer as a stationary phase for high performance liquid chromatography. ANALYTICA CHIMICA ACTA, 1292 (342258).
42. Kaiqi Yan, Xiangwei Liu, Jiawei Liu, Chong He, Jian Li, Quan Bai. (2024) Octadecyl-fibrous mesoporous silica nanospheres coated 96-blade thin-film microextraction for high-throughput analysis of phthalic acid esters in food and migration from food packages. JOURNAL OF CHROMATOGRAPHY A, 1716 (464636).
43. 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).

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SKU	Size	Availability	Price	Qty
D105988-100ml	100ml	9	$17.90
D105988-500ml	500ml	2	$31.90

Diallyl phthalate - reagent grade, high purity , CAS No.131-17-9