Basic information
- CAS
118-61-6- Standard SMILES
CCOC(=O)c1ccccc1O- InChIKey
GYCKQBWUSACYIF-UHFFFAOYSA-N- Molecular formula
- C9H10O3
- Average molar mass
- 166.17 g/mol
- Monoisotopic mass
- 166.06299418
Overview
Ethyl salicylate is a hydroxybenzoic acid.
Names & identifiers
- Preferred name
- Ethyl Salicylate
- IUPAC
- ethyl 2-hydroxybenzoate
- English name
- ethyl salicylate
- Molecular formula
- C9H10O3
- Molecular weight
- 166.17
Names & synonyms
Ethyl salicylateETHYL 2-HYDROXYBENZOATE118-61-6Sal ethylMesotolSalicylic etherSalotanEthyl o-hydroxybenzoateBenzoic acid, 2-hydroxy-, ethyl esterSalicylic acid, ethyl esterSalicylic ethyl esterSal ether
Show more names
FEMA 2458Ethyl salicyclatesalethylEthyl Liusalicylicether
Salicyclic acid, ethyl esterFEMA No. 2458DTXSID1021958555U6TZ2MVNSC-8209DTXCID601958RefChem:596399204-265-5
Database identifiers
- CAS
118-61-6、1321-50-2- PubChem CID
- 8365
- DTXSID
DTXSID1021958- ChEMBL
CHEMBL2251610- ChEBI
CHEBI:88839- UNII
- 555U6TZ2MV
- EC Number
- 204-265-5
- Nikkaji
- J5.527A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 156
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Esters, Other
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Ethyl salicylate) -> IFRA transparency List
LogP
2.95
2.23
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.125-1.131
Flavoring AgentsEU Flavoring substances
Solubility
slightly soluble in water, glycerol; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
233.00 to 235.00 °C. @ 760.00 mm Hg
234 °C
Melting Point1.3 °C
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1680 reports by companies from 7 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzoic acid, 2-hydroxy-, ethyl ester
Regulation (EC) No 1831/2003 (amended)
Status: Active Update: 23-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/25212
Ethyl salicylate: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A moderate skin irritant; [RTECS] Causes erythema after topical application as an aerosol; found in blood. [ChemIDplus] Safe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See Methyl salicylate and Phenyl salicylate.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- VO3000000
- hs_code
- 29182390
- Toxicity
- LD50 orally in Rabbit: 1320 mg/kg LD50 dermal Rabbit > 5000 mg/kg
- risk_code
- 22-36/38-52/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
UsesUsed as a fragrance (cosmetics and household products); [Merck Index] Used as a flavoring agent; [FDA] Used to flavor animal feeds; [ExPub: EFSA - FEEDAP]
Household ProductsInformation on 4 consumer products that contain Ethyl Salicylate in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzoic acid, 2-hydroxy-, ethyl ester: ACTIVE
Applications
DescriptionEthyl 2-hydroxdybenzoate is also known as Ethyl salicylate, which a kind of ester formed through the condensation between salicylic acid and ethanol. It can be used as a perfumery, artificial essence flavoring agent and used in cosmetics. It can also be used as analgesics, anti-inflammatory and antipyretic agents.
OccurrenceReported found in raspberry, tomato, currants, rum, whiskey, red wine, plum brandy, Cape gooseberry, Feijoa fruit, papaya and scotch.
UsesEthyl salicylate is a non-steroidal analgesic, anti-inflammatory and antirrheumatic drug. Its complexation with β-cyclodextrin was studied using reversed-phase liquid chromatography.
UsesEthyl salicylate may be used as an analytical standard for the determination of the analyte in biological fluids and topical formulation by chromatography-based techniques.
Related reactions
68 records
Compound notes
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