Dipentyl phthalate - analytical standard , CAS No.131-18-0

CAS: 131-18-0 Cat. No.: D103090 Molecular Weight: 306.4 Beilstein Registry Number: 1987323 EC Number: 205-017-9
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GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
1,2-dipentyl benzene-1,2-dicarboxylate | DIAMYL PHTHALATE [HSDB] | Dipentyl phthalate, Selectophore(TM), >=99.0% | (1Z)-2-(1H-BENZIMIDAZOL-2-YL)-N-HYDROXYETHANIMIDAMIDE | EN300-1073404 | NCGC00259069-01 | DTXSID5031131 | Q27116218 | NCGC00090765-02 | AI3-
Storage
Room temperature,Argon charged,Desiccated
Shipped In
Normal
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250mg
D103090-250mg
3

$117.90

$137.90
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Why this grade

analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature,Argon charged,Desiccated 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.

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Literature proof

Cited in 27 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
1, 2-dipentyl benzene-1, 2-dicarboxylate | DIAMYL PHTHALATE [HSDB] | Dipentyl phthalate, Selectophore(TM), >=99.0% | (1Z)-2-(1H-BENZIMIDAZOL-2-YL)-N-HYDROXYETHANIMIDAMIDE | EN300-1073404 | NCGC00259069-01 | DTXSID5031131 | Q27116218 | NCGC00090765-02 | AI3-
Specifications & Purity
analytical standard
Storage
Room temperature, Argon charged, Desiccated
Shipped In
Normal
Grade
Analytical standard
Names and Identifiers
Canonical SmilesCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC
IUPAC Namedipentyl benzene-1,2-dicarboxylate
InChIKeyIPKKHRVROFYTEK-UHFFFAOYSA-N
INCHI1S/C18H26O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3
Isomeric SMILES CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC
WGK Germany 3
RTECS TI1930000
UN Number 3082
Packing Group III
Molecular Weight 306.4
Beilstein 1987323
Reaxy-Rn 1987323
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1987323&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene 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  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic 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
DescriptionThis compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors Phthalates
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
VDR Tclin Vitamin D receptor (26531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mapk1 MAP kinase ERK2 (650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
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.

2 results found

Lot NumberCertificate TypeDateItem
F1606083Certificate of AnalysisJun 16, 2025 D103090
E2128020Certificate of AnalysisMar 09, 2023 D103090
Chemical and Physical Properties
Refractive Index1.49
Flash Point(°F)118℃
Flash Point(°C)118℃
Boil Point(°C)342°C
Melt Point(°C)-55°C
Molecular Weight306.400 g/mol
XLogP35.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass306.183 Da
Monoisotopic Mass306.183 Da
Topological Polar Surface Area52.600 Ų
Heavy Atom Count22
Formal Charge0
Complexity295.000
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
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. Yan-Yan Liu, Yi-Xin Zhang, Hua-Mei Wen, Xiao-Long Liu, Xin-Jiong Fan.  (2023)  Cloning and rational modification of a cold-adapted esterase for phthalate esters and parabens degradation.  CHEMOSPHERE,      [PMID:36925017] [10.1016/j.chemosphere.2023.138393]
3. Ruiting Niu, Honglin Qin, Yuan Tao, Lingdong Li, Lizhen Qiao.  (2023)  In situ formation of deep eutectic solvents based dispersive liquid–liquid microextraction for the enrichment of trace phthalate esters in aqueous samples.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2023.108537]
4. 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,      [PMID:] [10.1016/j.microc.2022.107933]
5. Kaixing Luo, Yu Luo, Yanjuan Liu, Yuefei Zhang, Wei Chen, Zhengwu Bai, Sheng Tang.  (2022)  Hydrophobic and hydrophilic selectivity of a multifunctional carbonyldiimidazolium/dodecyl modified silica stationary phase.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:35810643] [10.1016/j.chroma.2022.463300]
6. Ning Zhang, Dan Li, Mengyao Mu, Minghua Lu.  (2022)  Partially fluorinated UiO-66-NH2(Zr): Positive effect of the fluorine moiety on the adsorption capacity for environmental pollutants of metal–organic frameworks.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.137467]
7. Qidong Yu, Yaping Wu, Wenmin Zhang, Wende Ma, Juan Wang, Hui Chen, Qingqing Ding, Lan Zhang.  (2022)  Rapidly covalent immobilization of β-ketoenamine-linked covalent organic framework on fibers for efficient solid-phase microextraction of phthalic acid esters.  TALANTA,      [PMID:35334434] [10.1016/j.talanta.2022.123380]
8. Mingxia Sun, Juanjuan Feng, Jiaqing Feng, Haili Sun, Yang Feng, Xiangping Ji, Chunying Li, Sen Han, Min Sun.  (2021)  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,      [PMID:] [10.1016/j.cej.2021.133645]
9. Zhao Yuanli, Zhu Zhenbao, Liu Jianghua, Liu Jichao, Li Guoliang.  (2021)  Magnetic Solid-Phase Extraction Followed by HPLC–DAD for Highly Sensitive Determination of Phthalate Esters in Edible Vegetable Oils.  Food Analytical Methods,  14  (11): (2375-2385).  [PMID:] [10.1007/s12161-021-02041-0]
10. 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]
11. 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,      [PMID:33652369] [10.1016/j.chroma.2021.462003]
12. Tiemei Li, Yuefei Song, Jingmai Li, Mengnan Zhang, Yueyue Shi, Jing Fan.  (2019)  New low viscous hydrophobic deep eutectic solvents in vortex-assisted liquid-liquid microextraction for the determination of phthalate esters from food-contacted plastics.  FOOD CHEMISTRY,      [PMID:31670128] [10.1016/j.foodchem.2019.125752]
13. Yan Xu, Yan Wang, Chenguang Wu, Huijiang Huang, Ying Zhang, Jun Nan, Haibin Yu, Yujun Zhao.  (2019)  Structure effect of activated carbon in Ru/AC catalysts for hydrogenation of phthalates.  CATALYSIS COMMUNICATIONS,      [PMID:] [10.1016/j.catcom.2019.105825]
14. Cao Li, Jia Xu, Dan Chen, Yuxiu Xiao.  (2016)  Detection of phthalates migration from disposable tablewares to drinking water using hexafluoroisopropanol-induced catanionic surfactant coacervate extraction.  Journal of Pharmaceutical Analysis,      [PMID:29403995] [10.1016/j.jpha.2016.04.002]
15. 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).  [PMID:26450357] [10.1002/jssc.201500690]
16. Jianjun Shu, Pengfei Xie, Danni Lin, Rongfeng Chen, Jiang Wang, Beibei Zhang, Mingming Liu, Hanlan Liu, Fan Liu.  (2013)  Two highly stable and selective solid phase microextraction fibers coated with crown ether functionalized ionic liquids by different sol–gel reaction approaches.  ANALYTICA CHIMICA ACTA,      [PMID:24331051] [10.1016/j.aca.2013.11.006]
17. 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,  (20): (5694-5700).  [PMID:] [10.1039/C3AY40966J]
18. Mengjie Qin, Mengmeng Zhou, Dongxue Li, Xuejing Lou, Jiawen Zhu, Xiao Tian, Ning Zhang, Wende Ma, Minghua Lu.  (2024)  Boronic acid functionalized of covalent organic framework for high performance capture of trace phthalates.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:39488121] [10.1016/j.chroma.2024.465481]
19. 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]
20. 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,      [PMID:38309855] [10.1016/j.aca.2024.342258]
21. Ning Wang, Nan Zhang, Mei-Ling Sun, Yan Sun, Qing-Yu Dong, Yu Wang, Zeng-Tian Gu, Hai-Tao Ding, Qi-Long Qin, Yong Jiang, Xiu-Lan Chen, Yu-Zhong Zhang, Chao Gao, Chun-Yang Li.  (2024)  Molecular insights into the catalytic mechanism of a phthalate ester hydrolase.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:39013318] [10.1016/j.jhazmat.2024.135191]
22. 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]
23. Chao Liang, Jingyang Zhao, Pingdong Wei, Kang Wei, Hanqing Jiang.  (2025)  An energy-embodied paralleled liquid manipulation for equipment-free, quantitative multiplexed liver function monitoring.  Science Advances,  11  (32):   [PMID:40779627] [10.1126/sciadv.adx0092]
24. Xue Xiong, Meiling Qi.  (2018)  Hexagonal boron nitride stationary phase for gas chromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:30100014] [10.1016/j.chroma.2018.07.008]
25. Meng Luyan, Wang Baichun, Rong Yijia, Zhang Shun, Cai Ting, Ding Chuan-Fan, Yan Yinghua.  (2025)  Metal/heteroatom-doped carbon-based hybrid material as the matrix for rapid and high-throughput identification of phthalate esters in complex samples by laser desorption/ionization.  MICROCHIMICA ACTA,  192  (5): (1-11).  [PMID:40299203] [10.1007/s00604-025-07124-x]
26. Yaming Sun, Baoen Su, Ke Zhang, Yuhong Lin, Bing Wang, Min Sun.  (2025)  Sensitive detection of phthalates in Chinese Baijiu by online in-tube SPME-HPLC-DAD based on carbonized COF-coated carbon fibers.  FOOD CHEMISTRY,      [PMID:40466536] [10.1016/j.foodchem.2025.144986]
27. Yaming Sun, Shiqi Chai, Junnan Li, Chenchen Song, Hailiang Zhao, Lijun He, Dongmei Liu.  (2026)  MOF-199/graphene aerogel-derived porous carbon as solid-phase microextraction coating for the highly sensitive determination of phthalate acid esters in condiments.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:41616631] [10.1016/j.chroma.2026.466749]
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