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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-Benzenedicarboxylic acid, dicyclohexyl ester | SCHEMBL29302 | Dicyclohexylphthalate | W-104111 | CAS-84-61-7 | UNII-CGD15M7H2N | CHEBI:34693 | 1,2-Benzenedicarboxylic acid, 1,2-dicyclohexyl ester | DICYCLOHEXYL PHTHALATE [HSDB] | NSC6101 | NSC-6101 |
Storage
Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
250mg
D108628-250mg
3

$84.90

$98.90
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Specifications

Synonyms
1, 2-Benzenedicarboxylic acid, dicyclohexyl ester | SCHEMBL29302 | Dicyclohexylphthalate | W-104111 | CAS-84-61-7 | UNII-CGD15M7H2N | CHEBI:34693 | 1, 2-Benzenedicarboxylic acid, 1, 2-dicyclohexyl ester | DICYCLOHEXYL PHTHALATE [HSDB] | NSC6101 | NSC-6101 |
Specifications & Purity
analytical standard
Storage
Room temperature
Shipped In
Normal
Grade
Analytical standard
Names and Identifiers
Canonical SmilesC1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)OC3CCCCC3
IUPAC Namedicyclohexyl benzene-1,2-dicarboxylate
InChIKeyVOWAEIGWURALJQ-UHFFFAOYSA-N
INCHI1S/C20H26O4/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/h7-8,13-16H,1-6,9-12H2
Isomeric SMILES C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)OC3CCCCC3
WGK Germany 1
RTECS TI0889000
UN Number 3082
Packing Group III
Molecular Weight 330.42
Beilstein 1889288
Reaxy-Rn 1889288
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1889288&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(non-human)
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cryptococcus neoformans (21258 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
C2330035Certificate of AnalysisJan 20, 2025 D108628
K1904042Certificate of AnalysisMay 09, 2023 D108628
Chemical and Physical Properties
Refractive Index1.485
Flash Point(°F)356.0 - 374.0 °F
Flash Point(°C)207℃
Boil Point(°C)200-235°C
Melt Point(°C)62-65°C
Molecular Weight330.400 g/mol
XLogP35.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass330.183 Da
Monoisotopic Mass330.183 Da
Topological Polar Surface Area52.600 Ų
Heavy Atom Count24
Formal Charge0
Complexity381.000
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
References
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2. 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]
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6. 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]
7. 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]
8. 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]
9. 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]
10. Tong Yao, Liu Xueyan, Zhang Lei.  (2019)  One-pot fabrication of magnetic porous Fe3C/MnO/graphitic carbon microspheres for dispersive solid-phase extraction of herbicides prior to their quantification by HPLC.  MICROCHIMICA ACTA,  186  (4): (1-9).  [PMID:30904959] [10.1007/s00604-019-3358-0]
11. 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,      [PMID:] [10.1016/j.eurpolymj.2018.09.009]
12. Shaoyan Zhou, Naizhong Song, Xueju Lv, Qiong Jia.  (2018)  Preparation of carboxylatocalix[4]arene functionalized magnetic polyionic liquid hybrid material for the pre-concentration of phthalate esters.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:29908702] [10.1016/j.chroma.2018.06.023]
13. 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,      [PMID:29784315] [10.1016/j.foodchem.2018.04.132]
14. Wang Wenchang, Li Zhi, Wang Wenjin, Zhang Lihong, Zhang Shuaihua, Wang Chun, Wang Zhi.  (2017)  Microextraction of polycyclic aromatic hydrocarbons by using a stainless steel fiber coated with nanoparticles made from a porous aromatic framework.  MICROCHIMICA ACTA,  185  (1): (1-10).  [PMID:29594554] [10.1007/s00604-017-2577-5]
15. Cheng-bin Gong, Xiao-xiao Ou, Song Liu, Yong-lei Jin, Hai-rong Huang, Qian Tang, Michael Hon-Wah Lam, Cheuk-fai Chow, Qian Tang.  (2016)  A molecular imprinting-based multifunctional chemosensor for phthalate esters.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2016.10.047]
16. 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]
17. 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]
18. 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,  (43): (36223-36230).  [PMID:] [10.1039/C6RA00788K]
19. 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]
20. 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]
21. 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]
22. 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]
23. Yu Zhang, Yanqing Geng, Yan Zhang, Yidan Ma, Xin Yin, Zhuxiu Chen, Xinyi Mu, Rufei Gao, Xuemei Chen, Fangfang Li, Junlin He.  (2025)  Dicyclohexyl phthalate derails trophoblast function and lipid metabolism through NDRG1 by targeting PPARα:RXRα.  TOXICOLOGY,      [PMID:40157530] [10.1016/j.tox.2025.154124]
24. 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,      [PMID:38219624] [10.1016/j.chroma.2024.464636]
25. 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]
26. 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).  [PMID:32662596] [10.1002/jssc.202000129]
27. 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]
28. Yiwei Zhao, Qiao Li, Lei Huang, Xilei Ye, Huaixia Chen, Xueping Dang.  (2025)  Diethoxy-pillar[5]arenes doped poly(deep eutectic solvent-co-ethylene glycol dimethacrylate) monolithic column: An efficient sorbent for pipette tip micro solid-phase extraction and sensitive determination of eight phthalate esters in baijiu.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2025.116004]
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