4,4'-Ethylidenebisphenol - ≥98% , CAS No.2081-08-5

CAS: 2081-08-5 Cat. No.: E156401 Molecular Weight: 214.26 Beilstein Registry Number: 6(4)6678 EC Number: 627-637-2

GRADE & PURITY ≥98%

Synonyms

NCGC00248698-01 | 4,4'-(ETHANE-1,1-DIYL)DIPHENOL | Bisphenol E, analytical standard | HCNHNBLSNVSJTJ-UHFFFAOYSA- | 1,1-Bis(4-hydroxyphenyl)ethane | NCGC00357018-01 | DTXSID3047891 | E0432 | 4-[1-(4-hydroxyphenyl)ethyl]phenol | Bisphenol E | DTXCID9027867

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

application：

Bisphenol E may be used as a reference standard in the determination of bisphenol E in beverages using on-line solid-phase extraction with fast liquid chromatography coupled with tandem mass spectrometry (on-line SPE fast LC-MS/MS). 

Specifications

Synonyms

NCGC00248698-01 | 4, 4'-(ETHANE-1, 1-DIYL)DIPHENOL | Bisphenol E, analytical standard | HCNHNBLSNVSJTJ-UHFFFAOYSA- | 1, 1-Bis(4-hydroxyphenyl)ethane | NCGC00357018-01 | DTXSID3047891 | E0432 | 4-[1-(4-hydroxyphenyl)ethyl]phenol | Bisphenol E | DTXCID9027867

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504759518
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759518
• Canonical Smiles: CC(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
• IUPAC Name: 4-[1-(4-hydroxyphenyl)ethyl]phenol
• InChIKey: HCNHNBLSNVSJTJ-UHFFFAOYSA-N
• INCHI: 1S/C14H14O2/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12/h2-10,15-16H,1H3
• Isomeric SMILES: CC(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
• Molecular Weight: 214.26
• Beilstein: 6(4)6678
• Reaxy-Rn: 1876454
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1876454&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• External Descriptors: diarylmethane

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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

ESR2 Tclin Estrogen receptor beta (9272 Activities)

Discover Target: ESR2

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• Melt Point(°C): 125 °C
• Molecular Weight: 214.260 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 214.099 Da
• Monoisotopic Mass: 214.099 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 179.000
• 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

References

1. Siqi Wu, Siyao Liu, Zhiming Wang, Yinguang Chen, Guohua Zhao.  (2023)  Comprehensive analysis of bisphenol analogues in complex water using a group-targeting aptamer engineered by base mutation.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:37672991] [10.1016/j.jhazmat.2023.132427]

2. Yang Liu, Xueping Dang, Huaixia Chen.  (2023)  A molecularly imprinted polymer monolithic column with dual template and bifunctional monomers for selective extraction and simultaneous determination of eight phenolics from polycarbonate cups.  ANALYTICA CHIMICA ACTA,      [PMID:37423657] [10.1016/j.aca.2023.341493]

3. Li Chen, Tahir Maqbool, Ghazanfar Nazir, Congyu Hou, Yulong Yang, Jianning Guo, Xihui Zhang.  (2022)  Developing the large-area manganese-based catalytic ceramic membrane for peroxymonosulfate activation: Applications in degradation of endocrine disrupting compounds in drinking water.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2022.120602]

4. Wenxue Xu, Yufeng Hu, Minghuo Wu, Enming Miao, Hao Zhou, Xuwang Zhang, Jingjing Zhan.  (2021)  Determination of phenolic compounds in estuary water and sediment by solid-phase isotope dansylation coupled with liquid chromatography-high resolution mass spectrometry.  Analytical Methods,  13  (11): (1404-1411).  [PMID:33666211] [10.1039/D1AY00079A]

5. Jingjing Zhang, Yu Chen, Wenying Wu, Zhipeng Wang, Yanjie Chu, Xiaohui Chen.  (2018)  Hollow porous dummy molecularly imprinted polymer as a sorbent of solid-phase extraction combined with accelerated solvent extraction for determination of eight bisphenols in plastic products.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2018.12.031]

6. Zhang Jie, Zhang Tiehua, Guan Tianzhu, Yu Hansong, Li Tiezhu.  (2017)  In vitro and in silico assessment of the structure-dependent binding of bisphenol analogues to glucocorticoid receptor.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  409  (8): (2239-2246).  [PMID:28078411] [10.1007/s00216-016-0168-7]

7. Kaicheng Gu, Lindong Yang, Yi Jiang, Zhiqiang Wang, Jiannan Chen.  (2025)  Bisphenol E Neurotoxicity in Zebrafish Larvae: Effects and Underlying Mechanisms.  Biology-Basel,  14  (8): (992).  [PMID:40906180] [10.3390/biology14080992]

8. Xiao-Min Ren, Xinxin Liu, Yuwei Ma, Xiaochi Zhang, Huan He, Zhixiang Xu, Gui Yang, Bin Huang, Xuejun Pan.  (2026)  Binding activities of bisphenol analogues toward TTR and TBG and their potential to disrupt thyroid hormone homeostasis.  ENVIRONMENTAL POLLUTION,      [PMID:41638294] [10.1016/j.envpol.2026.127768]

9. Hang Xu, Wenhui Zhang, Sicheng Zhu, Bingyu Shen, Xinyu Li, Bingqi Jiang, Lianhong Wang, Philippe F.X. Corvini, Max M. Häggblom, Rong Ji.  (2026)  Synergistic transformation of alkylbisphenols (BPA, BPE, and BPF) mediated by ammonia-oxidizing bacteria and heterotrophic bacteria in nitrifying activated sludge.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:41690273] [10.1016/j.jhazmat.2026.141472]

10. Chen Su, Haimei Yang, Hanqian Ye, Yanhong Zheng, Lujian Mo, Zetong Song, Jingyao Wei, Yuan Sun, Haimei Huang, Zhongsheng Yi.  (2026)  Bridging atomic insights to endocrine hazard: A multiscale simulation and spectroscopic framework for bisphenol-G protein-coupled estrogen receptors interactions.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2026.145865]