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Benzyl Salicylate - >99.0%(GC), high purity , CAS No.118-58-1

    Grade & Purity:
  • ≥99%(GC)
In stock
Item Number
B153106
Grouped product items
SKU Size
Availability
Price Qty
B153106-5g
5g
3
$9.90
B153106-25g
25g
4
$19.90
B153106-100g
100g
3
$22.90
B153106-500g
500g
1
$40.90

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

Taxonomy Tree

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

Associated Targets(Human)

KCNH2 Tclin HERG (29587 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Dermatophagoides pteronyssinus (58 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Hepatitis C virus (23859 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Tribolium castaneum (596 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

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)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

11 results found

Lot Number Certificate Type Date Item
C2317041 Certificate of Analysis Mar 21, 2023 B153106
B2518065 Certificate of Analysis Mar 18, 2023 B153106
E23121251 Certificate of Analysis Mar 18, 2023 B153106
E23121239 Certificate of Analysis Mar 18, 2023 B153106
E23121242 Certificate of Analysis Mar 18, 2023 B153106
E23121243 Certificate of Analysis Mar 18, 2023 B153106
E23121244 Certificate of Analysis Mar 18, 2023 B153106
E23121252 Certificate of Analysis Mar 18, 2023 B153106
B2310365 Certificate of Analysis Feb 15, 2023 B153106
I2214164 Certificate of Analysis Jul 30, 2021 B153106
K2411049 Certificate of Analysis Jul 30, 2021 B153106

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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). 

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