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CAS No.: | 118-61-6 |
---|---|
Name: | Ethyl 2-hydroxybenzoate |
Article Data: | 113 |
Molecular Structure: | |
Formula: | C9H10O3 |
Molecular Weight: | 166.177 |
Synonyms: | Salicylicacid, ethyl ester (6CI,7CI,8CI);2-Ethoxycarbonylphenol;2-Hydroxybenzoic acidethyl ester;Ethyl 2-hydroxybenzoate;Ethyl o-hydroxybenzoate;Mesotol;NSC 8209;Sal Ethyl;Salicylic ether;Salotan;o-(Ethoxycarbonyl)phenol; |
EINECS: | 204-265-5 |
Density: | 1.168 g/cm3 |
Melting Point: | 1 °C(lit.) |
Boiling Point: | 234.4 °C at 760 mmHg |
Flash Point: | 93.8 °C |
Solubility: | slightly soluble in water |
Appearance: | clear colourless to pale yellow liquid |
Hazard Symbols: | Xn, Xi |
Risk Codes: | 22-36/38 |
Safety: | 26-36 |
PSA: | 46.53000 |
LogP: | 1.56890 |
2-hydroxy-benzoic acid ethyl ester
Conditions | Yield |
---|---|
With titanium tetrachloride; tetra-(n-butyl)ammonium iodide In dichloromethane at -78℃; for 0.5h; deprenylation; | 100% |
Conditions | Yield |
---|---|
With sulfuric acid for 4h; Reflux; | 99% |
With sulfuric acid In water for 4h; Reflux; | 97.25% |
With alumina methanesulfonic acid at 120℃; for 0.333333h; Microwave irradiation; | 96% |
Conditions | Yield |
---|---|
With palladium chloride*2MeCN; chloranil In 1,4-dioxane at 100℃; for 18h; | 95% |
With 5-trimethylammonio-1,3-dioxo-1,3-dihydro-1λ5-benzo[d][1,2]-iodoxol-1-ol anion In diethylene glycol dimethyl ether; water at 40℃; for 24h; | 32% |
Conditions | Yield |
---|---|
With Candida cylindracea lipase In di-isopropyl ether; butan-1-ol at 28 - 30℃; for 48h; | 94% |
With aluminium trichloride; potassium iodide In water; acetonitrile at 80℃; for 4h; | 80% |
2-(But-2-enyl-1-oxy)benzoesaeureethylester
2-hydroxy-benzoic acid ethyl ester
Conditions | Yield |
---|---|
With titanium tetrachloride; tetra-(n-butyl)ammonium iodide In dichloromethane at -78℃; for 0.5h; deprenylation; | 94% |
Conditions | Yield |
---|---|
With potassium phosphate; N-benzyl-N,N,N-triethylammonium chloride at 20℃; for 4h; | 94% |
Conditions | Yield |
---|---|
With cesium fluoride In acetonitrile for 3h; Heating; | 90% |
Conditions | Yield |
---|---|
With sodium hydrogencarbonate; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate at 40℃; for 0.583333h; | 90% |
Conditions | Yield |
---|---|
With perchloric acid; sodium percarbonate; vanadia for 4.5h; Cooling; | 89% |
2-hydroxy-benzoic acid ethyl ester
Conditions | Yield |
---|---|
With pyridinium p-toluenesulfonate In ethanol for 4h; Inert atmosphere; Reflux; | 83% |
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Structure of Ethyl salicylate (CAS NO.118-61-6):
Molecular Formula: C9H10O3
Molar mass: 166.17 g/mol
EINECS: 204-265-5
Density: 1.168 g/cm3
Flash Point: 93.8 °C
Index of Refraction: 1.538
Boiling Point: 234.4 °C at 760 mmHg
Vapour Pressure: 0.0348 mmHg at 25°C
Melting point: 1 °C(lit.)
Appearance: Clear colourless to pale yellow liquid
Product categories: Aromatic Esters ; Pharmaceutical Intermediates ; Heterocyclic Compounds
XLogP3-AA: 3
H-Bond Donor: 1
H-Bond Acceptor: 3
Systematic Name: Ethyl 2-hydroxybenzoate
SMILES: O=C(OCC)c1ccccc1O
InChI: InChI=1/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3
InChIKey: GYCKQBWUSACYIF-UHFFFAOYAH
Std. InChI: InChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3
Std. InChIKey: GYCKQBWUSACYIF-UHFFFAOYSA-N
Ethyl salicylate (CAS NO.118-61-6) is not used for the modulation daily soap flavor, but also used in the pharmaceutical.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LDLo | oral | 1400mg/kg (1400mg/kg) | Food and Cosmetics Toxicology. Vol. 16, Pg. 751, 1978. | |
guinea pig | LDLo | subcutaneous | 1500mg/kg (1500mg/kg) | American Journal of Physiology. Vol. 13, Pg. 331, 1905. | |
rat | LD50 | oral | 1320mg/kg (1320mg/kg) | Food and Cosmetics Toxicology. Vol. 16, Pg. 751, 1978. |
Reported in EPA TSCA Inventory.
Moderately toxic by ingestion and subcutaneous routes. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
Hazard Codes of Ethyl salicylate (CAS NO.118-61-6): Xn,Xi
Risk Statements:
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
Ethyl salicylate (CAS NO.118-61-6) also can be called Salicylic acid, ethyl ester ; Ethyl 2-hydroxybenzoate ; Ethyl o-hydroxybenzoate and benzoic acid, 2-hydroxy-, ethyl ester .It is hazardous,so the first aid measures and others should be known.Such as: When on the skin: should flush skin with plenty of water immediatelyfor at least 15 minutes while removing contaminated clothing.Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids.While ,it's Inhaled: Remove from exposure and move to fresh air immediately.Then you have the ingesting of the product : Do not induce vomiting.If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
In addition, It can be stable under normal temperature and pressure conditions.It is not compatible with strong oxidizing agents, strong bases, and you must not take it with light, strong oxidants and incompatible materials.And also prevent it to broken down into hazardous decomposition products: irritating and toxic fumes and gases, carbon dioxide, carbon monoxide.