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4,4′-(1-Phenylethylidene)bisphenol - 99%, high purity , CAS No.1571-75-1
Basic Description
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
Specifications & Purity
≥99%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
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
Description
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.
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
488190793
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488190793
IUPAC Name
4-[1-(4-hydroxyphenyl)-1-phenylethyl]phenol
INCHI
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
InChIKey
VOWWYDCFAISREI-UHFFFAOYSA-N
Smiles
CC(C1=CC=CC=C1)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O
Isomeric SMILES
CC(C1=CC=CC=C1)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O
WGK Germany
3
Molecular Weight
290.36
Reaxy-Rn
1914490
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1914490&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
186.0-190.0°C
Molecular Weight
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
Citations of This Product
1.
Jinghan Guo, Yalin Wu, Yanhui Li, Shuangying Li, Zhi Li, Jingwen Niu, Chunmao Chen, Qingxiang Zhou.
(2024)
Construction of specific molecularly imprinted electrochemical probe utilizing magnetic carbon dots for effective measurement of bisphenol AP in plastic products. Sustainable Materials and Technologies,
39
(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).
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,
1273
(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,
317
(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,
311
(123240).
6.
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,
655
(120602).
7.
Hao-hao Ren, Peng-cheng Li, Ya-nan Wu, Jin-bo Hu, Gang Zhang, Yong-gang Yan.
(2021)
Semi-aromatic copoly(ether ether amide): Synthesis and properties. JOURNAL OF APPLIED POLYMER SCIENCE,
138
(37):
(50940).
8.
Pengcheng Li, Dawei Yan, Lin Luo, Wanli Tang, Haohao Ren, Yonggang Yan.
(2021)
Poly(arylene ether nitrile) copolymers containing pendant phenyl: Synthesis and properties. JOURNAL OF APPLIED POLYMER SCIENCE,
138
(25):
(50585).
9.
Qian Liu, Wentao Shao, Zhenkun Weng, Xin Zhang, Guipeng Ding, Cheng Xu, Jin Xu, Zhaoyan Jiang, Aihua Gu.
(2020)
In vitro evaluation of the hepatic lipid accumulation of bisphenol analogs: A high-content screening assay. TOXICOLOGY IN VITRO,
68
(104959).
10.
Jia-Wei Long, Li Chen, Bo-Wen Liu, Xiao-Hui Shi, Xue-Bao Lin, Ying-Ming Li, Yu-Zhong Wang.
(2020)
Tuning the Pendent Groups of Semiaromatic Polyamides toward High Performance. MACROMOLECULES,
53
(9):
(3504–3513).
11.
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).
12.
Zhidong Ren, Yuanrong Cheng, Yan Li, Fei Xiao.
(2016)
Soluble asymmetric bismaleimide with low molten viscosity and its high glass transition temperature polymer. JOURNAL OF APPLIED POLYMER SCIENCE,
133
(22):
13.
Na Wei,Zhenjia Zheng,Yuhua Wang,Yanduo Tao,Yun Shao,Shuyun Zhu,Jinmao You,Xian-En Zhao.
(2017-04-04)
Rapid and sensitive determination of multiple endocrine-disrupting chemicals by ultrasound-assisted in situ derivatization dispersive liquid-liquid microextraction coupled with ultra-high-performance liquid chromatography/tandem mass spectrometry.. Rapid communications in mass spectrometry : RCM,
31
((11)):
(937-950).
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13 Citations
D2325264