6-METHYLSALICYLIC ACID ETHYL ESTER Chemical Properties

Melting point:

45°C

Boiling point:

85-95 °C(Press: 0.5 Torr)

Density 

1.136±0.06 g/cm3(Predicted)

storage temp. 

Inert atmosphere,Room Temperature

form 

powder to crystal

pka

10.04±0.10(Predicted)

color 

White to Light yellow

InChI

InChI=1S/C10H12O3/c1-3-13-10(12)9-7(2)5-4-6-8(9)11/h4-6,11H,3H2,1-2H3

InChIKey

KWXBNUYCDMPLEQ-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C1=C(C)C=CC=C1O

CAS DataBase Reference

6555-40-4(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn

Risk Statements 

22

Safety Statements 

24/25

HS Code 

29182300

6-METHYLSALICYLIC ACID ETHYL ESTER Usage And Synthesis

Synthesis

Example 1 Preparation of ethyl 2-hydroxy-6-methylbenzoate: a stirred mixture of trans-2-butenal (21.0 g, 0.30 mol) and anhydrous sodium acetate (25.0 g, 0.30 mol) in glacial acetic acid was heated to reflux temperature under nitrogen protection. Ethyl 2-chloroacetoacetate (41.1 g, 95%, 0.25 mol) was added dropwise over 2.25 hours. The reaction mixture was continued to be heated at reflux temperature for 16 h. Subsequently, it was cooled to room temperature and concentrated in vacuum to give the crude product. The crude product was partitioned between ethyl acetate and water. The organic phase was diluted with hexane and washed sequentially with water and aqueous sodium bicarbonate, and finally concentrated in vacuum to afford the target product ethyl 2-hydroxy-6-methylbenzoate as an oil in a yield of 41.0 g with a purity of 71.4% (65% yield), and the product structure was confirmed by nuclear magnetic resonance (NMR) analysis.

References

[1] Patent: US6441219, 2002, B1

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