Phenyl salicylate - CAS 118-55-8

Catalog:	BB004143
Product Name:	Phenyl salicylate
CAS:	118-55-8
Synonyms:	Benzoic acid, 2-hydroxy-, phenyl ester

Technical Data

IUPAC Name:	phenyl 2-hydroxybenzoate
Description:	Phenyl salicylate is used as an ultraviolet absorbent, plasticizer, preservative for plastic products, pharmaceutical synthesis, fragrance preparation.
Molecular Weight:	214.22
Molecular Formula:	C13H10O3
Canonical SMILES:	C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
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
InChI Key:	ZQBAKBUEJOMQEX-UHFFFAOYSA-N
Boiling Point:	173°C
Melting Point:	41-43°C
Flash Point:	113 °C(235.4 °F)
Purity:	≥95%
Density:	1.25 g/cm3
Solubility:	Soluble in Acetone, Alcohol, Benzene, Chloroform, Chloroformbenzene (Sparingly), Ether, Turpentine
Appearance:	White Fine Crystalline Powder
Storage:	Store at 2-8°C
MDL:	MFCD00002213
LogP:	2.61140
Refractive Index:	1.615
Stability:	Light sensitive. Incompatible with strong oxidants. Flammable.
Vapor Pressure:	0.00000817 [mmHg]

GHS Hazard Statement:	H315 (98.45%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-11033516-B1	Combination therapies with disulfiram	20200918
US-10980756-B1	Methods of treatment	20200316
WO-2021122608-A1	Low-molecular gelling agent as fragrant substance dispensing system	20191220
WO-2021125160-A1	Photosensitive resin composition, partition wall, organic electroluminescent element and image display device	20191220
WO-2021125418-A1	Phenolic compound, skin-whitening cosmetic composition comprising same, and skin-whitening cosmetic product	20191220

PMID	Publication Date	Title	Journal
26321725	20151201	Hydrolytic metabolism of phenyl and benzyl salicylates, fragrances and flavoring agents in foods, by microsomes of rat and human tissues	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
24004914	20131001	Simultaneous determination of the UV-filters benzyl salicylate, phenyl salicylate, octyl salicylate, homosalate, 3-(4-methylbenzylidene) camphor and 3-benzylidene camphor in human placental tissue by LC-MS/MS. Assessment of their in vitro endocrine activity	Journal of chromatography. B, Analytical technologies in the biomedical and life sciences
23015476	20121201	Synthesis of biologically active and photostable rigid poly(vinyl chloride)	Journal of biomedical materials research. Part A
22432444	20120412	Modeling dynamics of isotropic dielectrics in a laminar heterogeneous configuration	The journal of physical chemistry. B
22197706	20120307	The estrogenic potential of salicylate esters and their possible risks in foods and cosmetics	Toxicology letters

Complexity:	233
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.062994177
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	214.062994177
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8