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Phenyl salicylate - 98%, high purity , CAS No.118-55-8
Basic Description
Synonyms
Salicylic Acid Phenyl Ester | SALOL [MART.] | 2-Hydroxybenzoic acid phenyl ester | 2-Hydroxy-benzoic acid phenyl ester | Tox21_201811 | phenylsalicylate | PS-7960 | NCGC00090887-01 | WLN: QR BVOR | Fenylester kyseliny salicylove [Czech] | AI3-00195 | NCGC
Specifications & Purity
≥98%
Storage Temp
Protected from light,Desiccated
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Depsides and depsidones
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Depsides and depsidones
Alternative Parents
o-Hydroxybenzoic acid esters Salicylic acid and derivatives Phenol esters Phenoxy compounds Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Depside backbone - O-hydroxybenzoic acid ester - Benzoate ester - Salicylic acid or derivatives - Phenol ester - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description
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
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.
Associated Targets(Human)
Associated Targets(non-human)
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
504751656
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504751656
IUPAC Name
phenyl 2-hydroxybenzoate
INCHI
InChI=1S/C13H10O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9,14H
InChIKey
ZQBAKBUEJOMQEX-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
Isomeric SMILES
C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
WGK Germany
2
RTECS
VO6125000
Molecular Weight
214.22
Beilstein
393969
Reaxy-Rn
393969
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=393969&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in alcohol, ether, chloroform, turpentine, acetone and benzene. Sparingly soluble in chloroformbenzene. Insoluble in water.
Sensitivity
Light sensitive.
Flash Point(°F)
235.4 °F
Flash Point(°C)
113 °C
Boil Point(°C)
172-173°C
Melt Point(°C)
41-43°C
Molecular Weight
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
Citations of This Product
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).
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,
1618
(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).
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,
370
(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,
153
(115603).
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5 Citations
H2014066