4-Phenylphenol - ≥99% , CAS No.92-69-3

CAS: 92-69-3 Cat. No.: P100424 Molecular Weight: 170.21 Beilstein Registry Number: 1907452 EC Number: 202-179-2

GRADE & PURITY ≥99%

Synonyms

4-Biphenylol | AI3-00080 | AMY40490 | HMS1369I22 | para-Hydroxydiphenyl | Phenol p-phenyl | AB01331816-02 | Phenol, p-phenyl | p-phenyl phenol | DTXSID7021152 | DTXCID601152 | NCGC00249191-01 | NCGC00256447-01 | (1,1'-Biphenyl)-4-ol | 1-Hydroxy-4-phenylbe

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

4-Biphenylol | AI3-00080 | AMY40490 | HMS1369I22 | para-Hydroxydiphenyl | Phenol p-phenyl | AB01331816-02 | Phenol, p-phenyl | p-phenyl phenol | DTXSID7021152 | DTXCID601152 | NCGC00249191-01 | NCGC00256447-01 | (1, 1'-Biphenyl)-4-ol | 1-Hydroxy-4-phenylbe

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488180287
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180287
• Canonical Smiles: C1=CC=C(C=C1)C2=CC=C(C=C2)O
• IUPAC Name: 4-phenylphenol
• InChIKey: YXVFYQXJAXKLAK-UHFFFAOYSA-N
• INCHI: 1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H
• Isomeric SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)O
• WGK Germany: 2
• RTECS: DV5850000
• UN Number: 2430
• Molecular Weight: 170.21
• Beilstein: 1907452
• Reaxy-Rn: 1907452
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1907452&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - 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 biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• External Descriptors: hydroxybiphenyls

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)

AR Tclin Androgen Receptor (11781 Activities)

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VEGFA Tclin Vascular endothelial growth factor A (159 Activities)

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ALB Tchem Serum albumin (2651 Activities)

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MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)

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UGT1A4 Tbio UDP-glucuronosyltransferase 1A4 (288 Activities)

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HT-29 (80576 Activities)

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MCF7 (126967 Activities)

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U-251 (51189 Activities)

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U-87 MG (3946 Activities)

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HEK293 (82097 Activities)

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BCL2L1 Tchem Apoptosis regulator Bcl-X (2604 Activities)

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UGT2B7 Tchem UDP-glucuronosyltransferase 2B7 (787 Activities)

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UGT2B17 Tbio UDP-glucuronosyltransferase 2B17 (197 Activities)

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UGT2B4 Tbio UDP-glucuronosyltransferase 2B4 (139 Activities)

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UGT2B10 Tbio UDP-glucuronosyltransferase 2B10 (42 Activities)

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UGT2B15 Tbio UDP-glucuronosyltransferase 2B15 (172 Activities)

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UGT2B28 Tbio UDP-glucuronosyltransferase 2B28 (9 Activities)

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UGT1A1 Tchem UDP-glucuronosyltransferase 1-1 (448 Activities)

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UGT1A6 Tbio UDP-glucuronosyltransferase 1-6 (221 Activities)

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UGT1A7 Tbio UDP-glucuronosyltransferase 1-7 (106 Activities)

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UGT1A8 Tbio UDP-glucuronosyltransferase 1-8 (233 Activities)

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UGT1A9 Tbio UDP-glucuronosyltransferase 1-9 (343 Activities)

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UGT1A10 Tbio UDP-glucuronosyltransferase 1-10 (257 Activities)

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UGT2A1 UDP-glucuronosyltransferase 2A1 (59 Activities)

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Associated Targets(non-human)

Sult1a1 Aryl sulfotransferase (136 Activities)

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Ttr Transthyretin (14 Activities)

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Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

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Bacillus subtilis (32866 Activities)

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Human papillomavirus (81 Activities)

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ESR1 Estrogen receptor (4 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water; Degree of Solubility in water: 56.2 mg/l 20 °C; Very soluble in Ether,Alcohol,Chloroform
• Flash Point(°F): 165℃
• Flash Point(°C): 165℃
• Boil Point(°C): 321°C
• Melt Point(°C): 164-166°C
• Molecular Weight: 170.210 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 170.073 Da
• Monoisotopic Mass: 170.073 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 141.000
• 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. Li-Ying Bo, Zhi-Qin Pan, Tian-Ying Sun, Guo-Jun Du, Duo Zhang, Zhi-Qiang Song, Chun-Li Song, Ren Jian.  (2023)  Effect of Carrot Juice on the Texture Properties, Rheology, and Microstructure of Yoghurt.  JOURNAL OF FOOD QUALITY,      [PMID:] [10.1155/2023/9971055]

2. Yao Ma, Jinfan Chen, Xiaodong Du, Chunsheng Xie, Jiangmin Zhou, Xueqin Tao, Zhi Dang, Guining Lu.  (2022)  Efficient removal of polybrominated diphenyl ethers from soil washing effluent by dummy molecular imprinted adsorbents: Selectivity and mechanisms.  Journal of Environmental Sciences,      [PMID:36804241] [10.1016/j.jes.2022.08.026]

3. Yamin Xiong, Lihong Zhou, Xiaoxia Peng, Huiling Li, Hui Wang, Leiliang He, Peili Huang.  (2020)  A specific short peptide-assisted enhanced chemiluminescence resonance energy transfer (CRET) for label-free and ratiometric detection of copper ions in complex samples.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2020.128411]

4. Jian Wang, Peiping Zhang, Congcong Wang, Xuda Zheng, Yuanjun Zhao, Lina Li, Shiding Miao.  (2019)  Band structure tunable synthesis of photocatalytic porous aromatic frameworks via Scholl reaction.  MATERIALS & DESIGN,      [PMID:] [10.1016/j.matdes.2019.108371]

5. Rongxiang Hu, Fenghua Zhang, Lan Luo, Linlin Wang, Yanju Liu, Jinsong Leng.  (2024)  An end-capping strategy for shape memory phthalonitrile resins via annealing enables conductivity and wave-absorption.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.150956]

6. Geng Qian, Zhao Xin-Huai.  (2014)  Influences of exogenous probiotics and tea polyphenols on the production of three acids during the simulated colonic fermentation of maize resistant starch.  JOURNAL OF FOOD SCIENCE AND TECHNOLOGY-MYSORE,  52  (9): (5874-5881).  [PMID:26345003] [10.1007/s13197-014-1662-6]

7. Rongxiang Hu, Fenghua Zhang, Lan Luo, Linlin Wang, Yanju Liu, Jinsong Leng.  (2025)  Reconfigurable high-temperature thermal protection shape memory aerogel based on phthalonitrile resin with facile template method.  CARBON,      [PMID:] [10.1016/j.carbon.2025.120378]