Ethyl salicylate - CAS 118-61-6

Catalog:	BB004153
Product Name:	Ethyl salicylate
CAS:	118-61-6
Synonyms:	Benzoic acid, 2-hydroxy-, ethyl ester; Salicylic acid, ethyl ester; 2-Carboethoxyphenol; 2-Ethoxycarbonylphenol; 2-Hydroxybenzoic acid ethyl ester; Ethyl o-hydroxybenzoate; Mesotol; NSC 8209; o-(Ethoxycarbonyl)phenol; Sal Ethyl; Salicylic ether; Salotan

Technical Data

Related CAS:	1476043-16-9 (Deleted CAS)
IUPAC Name:	ethyl 2-hydroxybenzoate
Description:	Ethyl salicylate is a natural product found in Castanopsis cuspidata and Geum heterocarpum.
Molecular Weight:	166.17
Molecular Formula:	C9H10O3
Canonical SMILES:	CCOC(=O)C1=CC=CC=C1O
InChI:	InChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3
InChI Key:	GYCKQBWUSACYIF-UHFFFAOYSA-N
Boiling Point:	232.5°C
Melting Point:	1°C
Flash Point:	107ºC
Purity:	≥95%
Density:	1.1299 g/cm3
Solubility:	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance:	Clear liquid
Storage:	Store at RT
MDL:	MFCD00002215
LogP:	1.56890
Refractive Index:	1.521-1.525
Stability:	May discolor on exposure to light.
Vapor Pressure:	0.05 mm Hg ( 25 °C)

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
23583298	20130701	Inverse antagonist activities of parabens on human oestrogen-related receptor γ (ERRγ): in vitro and in silico studies	Toxicology and applied pharmacology
22197706	20120307	The estrogenic potential of salicylate esters and their possible risks in foods and cosmetics	Toxicology letters
22094014	20120223	Optimization and validation of liquid chromatography and headspace-gas chromatography based methods for the quantitative determination of capsaicinoids, salicylic acid, glycol monosalicylate, methyl salicylate, ethyl salicylate, camphor and l-menthol in a topical formulation	Journal of pharmaceutical and biomedical analysis
21504011	20110530	On-line reaction monitoring by extractive electrospray ionisation	Rapid communications in mass spectrometry : RCM
20488836	20100601	Natural variation in herbivore-induced volatiles in Arabidopsis thaliana	Journal of experimental botany

Complexity:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.062994177
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	166.062994177
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3