This compound belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone).
External Descriptors
phenols - salicylates - benzoate ester
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.
Soluble in alcohol, ether, chloroform, turpentine, acetone and benzene. Sparingly soluble in chloroformbenzene. Insoluble in water.
Sensibilidad
Light sensitive.
Punto de inflamación (°F)
235.4 °F
Punto de inflamación (°C)
113 °C
Punto de ebullición (°C)
172-173°C
Punto de fusión (°C)
41-43°C
Peso molecular
214.220 g/mol
XLogP3
3.800
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
214.063 Da
Monoisotopic Mass
214.063 Da
Topological Polar Surface Area
46.500 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
233.000
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.Jianmin Chen, Mengnan Ran, Meixia Wang, Xinying Liu, Siwan Liu, Zhipeng Ruan, Nan Jin. (2021) Evaluation of antityrosinase activity and mechanism, antioxidation, and UV filter properties of theaflavin. BIOTECHNOLOGY AND APPLIED BIOCHEMISTRY, 69 (3):(951-962). [PMID:33878231][10.1002/bab.2166]
2.Kaige Zhang, Shuangying Li, Yunhe Wang, Jing Fan, Guifen Zhu. (2020) Air-assisted liquid-liquid microextraction based on solidification of floating deep eutectic solvent for the analysis of ultraviolet filters in water samples by high performance liquid chromatography with the aid of response surface methodology. JOURNAL OF CHROMATOGRAPHY A, [PMID:31980262][10.1016/j.chroma.2020.460876]
3.Cheng Jie, Kong Xiaojian, Liu Shucheng, Che Dandan, Sun Zhiwei, Li Guoliang, Ping Meiling, Tang Jingpu, You Jinmao. (2018) Determination of Ultraviolet Filters in Domestic Wastewater by LC–MS Coupled with Polydopamine-Based Magnetic Solid-Phase Extraction and Isotope-Coded Derivatization. CHROMATOGRAPHIA, 81 (12):(1673-1684). [PMID:][10.1007/s10337-018-3650-x]
4.Yingxiong Zhang, Ting Liu, Yakun Tang, Jingmei Liu, Yue Zhang, Xiaodong Zhou, Xiaohui Li, Lang Liu. (2024) Porous hollow nanospheres nickel phosphide and its high catalytic hydrogenation performance on naomaohu coal soluble portion and model compounds. FUEL, [PMID:][10.1016/j.fuel.2024.131774]
5.Yonghong Wu, Zhihang Shang, Zhaorui Li, Wenle Zhu, Lifang Nie, Juncheng Liu. (2024) Porous SiO2 antireflection film with high UV resistance. OPTICAL MATERIALS, [PMID:][10.1016/j.optmat.2024.115603]
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