4,4′-(1-Phenylethylidene)bisphenol - ≥99% , CAS No.1571-75-1

CAS: 1571-75-1 Cat. No.: P121839 Peso molecular: 290.36 Número EC: 433-130-5

GRADE & PURITY ≥99%

Synonyms

EC 433-130-5 | 4,4'-(1-alpha-Methylbenzylidene)bisphenol | CAS-301-02-0 | NCGC00357218-01 | 4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenol | 4-[1-(4-hydroxyphenyl)-1-phenyl-ethyl]phenol | Bisphenol??AP, analytical standard | 4,4'-( alpha -Methylbenzylidene)b

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

EC 433-130-5 | 4, 4'-(1-alpha-Methylbenzylidene)bisphenol | CAS-301-02-0 | NCGC00357218-01 | 4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenol | 4-[1-(4-hydroxyphenyl)-1-phenyl-ethyl]phenol | Bisphenol??AP, analytical standard | 4, 4'-( alpha -Methylbenzylidene)b

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488190793
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190793
• Sonrisas canónicas: CC(C1=CC=CC=C1)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O
• IUPAC Name: 4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenol
• InChIKey: VOWWYDCFAISREI-UHFFFAOYSA-N
• INCHI: 1S/C20H18O2/c1-20(15-5-3-2-4-6-15,16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17/h2-14,21-22H,1H3
• Isómeros SMILES: CC(C1=CC=CC=C1)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O
• WGK Alemania: 3
• Peso molecular: 290.36
• Reaxy-Rn: 1914490
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1914490&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Bisphenols 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenyl compound - Bisphenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
• External Descriptors: Not available

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 186.0-190.0°C
• Peso molecular: 290.400 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 290.131 Da
• Monoisotopic Mass: 290.131 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 310.000
• 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

Referencias

1. Jinghan Guo, Yalin Wu, Yanhui Li, Shuangying Li, Zhi Li, Jingwen Niu, Chunmao Chen, Qingxiang Zhou.  (2023)  Construction of specific molecularly imprinted electrochemical probe utilizing magnetic carbon dots for effective measurement of bisphenol AP in plastic products.  Sustainable Materials and Technologies,      [PMID:] [10.1016/j.susmat.2023.e00805]

2. Lishi Jiang, Xiaoyu Li, Junyu Dai, Niu Zefeng, Sha Gou, Ling Gu, Shajie Luo.  (2023)  Copolymers of poly(aryl ether ketone)/poly(ether ether amide) containing different numbers of methylene in the main chain: Synthesis and properties.  JOURNAL OF APPLIED POLYMER SCIENCE,  140  (36): (e54220).  [PMID:] [10.1002/app.54220]

3. 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]

4. Xiaorong Wu, Shiqi Li, Meijia Zhang, Shengjun Bai, Yangyue Ni, Qiaoqiao Xu, Yun Fan, Chuncheng Lu, Zhipeng Xu, Chenbo Ji, Guizhen Du, Yufeng Qin.  (2023)  Early-life bisphenol AP exposure impacted neurobehaviors in adulthood through microglial activation in mice.  CHEMOSPHERE,      [PMID:36696922] [10.1016/j.chemosphere.2023.137935]

5. Yun Guo, Wenjie Zhao, Shuyu Dai, Jian Mao, Qidong Zhang, Zhengkun Xie, Wenfen Zhang, Wuduo Zhao, Ajuan Yu, Shusheng Zhang.  (2023)  A monolithic azacalix[4]pyridine column for high-resolution and high-efficiency pressurized capillary electrochromatographic separation.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2023.123240]

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16. Zhima Yangcuo, Xiaodan Zheng, Yajuan Zhang, Xin Yang, Xinyi Zheng, Hang Zhu, Wenhui Chen, Qihong Cai.  (2026)  A new second-order derivative synchronous fluorescence spectrometry for simultaneous and rapid determination of ultratrace 1-naphthol and 2-naphthol in wastewater.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:41797160] [10.1016/j.saa.2026.127649]

17. Jinglin Chen, Xiaoying Feng, Tingting Tu, Chunying Wei, Yongsheng Cui, Juan Zheng, Gangfeng Ouyang.  (2026)  Modified biochar through synergistic strategies for enhanced extraction of bisphenol compounds in marine water.  ANALYTICA CHIMICA ACTA,      [PMID:] [10.1016/j.aca.2026.345372]