The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
Benzyl Salicylate - >99.0%(GC), high purity , CAS No.118-58-1
Basic Description
Synonyms
2-Hydroxybenzoic acid phenylmethyl ester | BRN 2115365 | Phenylmethyl 2-hydroxybenzoate | SCHEMBL15573 | NCGC00256928-01 | BENZYL SALICYLATE [FHFI] | FEMA No. 2151 | J-003850 | Benzyl salicylate, 98% | EINECS 204-262-9 | Salicylic acid-benzyl ester | BENZ
Specifications & Purity
≥99%(GC)
Shipped In
Normal
Product Description
Benzyl salicylate is a constituent of raw propolis that can be identified by headspace solid-phase microextraction (HS-SPME), followed by gas chromatography-mass spectrometry (GC-MS).
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzoic acid esters
Direct Parent
o-Hydroxybenzoic acid esters
Alternative Parents
Salicylic acid and derivatives Benzyloxycarbonyls 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
O-hydroxybenzoic acid ester - Benzyloxycarbonyl - Salicylic acid or derivatives - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy group.
External Descriptors
Not available
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
488180764
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488180764
IUPAC Name
benzyl 2-hydroxybenzoate
INCHI
InChI=1S/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2
InChIKey
ZCTQGTTXIYCGGC-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O
Isomeric SMILES
C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O
WGK Germany
2
RTECS
VO1750000
Molecular Weight
228.25
Beilstein
2115370
Reaxy-Rn
2115365
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2115365&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Slightly soluble in water, miscible with ether and alcohol
Refractive Index
1.5804
Flash Point(°F)
356 °F
Flash Point(°C)
184°C
Boil Point(°C)
194°C
Melt Point(°C)
18-20℃
Molecular Weight
228.240 g/mol
XLogP3
3.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
228.079 Da
Monoisotopic Mass
228.079 Da
Topological Polar Surface Area
46.500 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
246.000
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.
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).
2.
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).
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.