Benzoic acid, 2-methoxy-6-methyl-, ethyl ester
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Benzoic acid, 2-methoxy-6-methyl-, ethyl ester
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CAS No:
6520-83-8
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Formula:
C11H14O3
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Chemical Name:
Benzoic acid, 2-methoxy-6-methyl-, ethyl ester
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Synonyms:
Benzoic acid,2-methoxy-6-methyl-,ethyl ester;o-Anisic acid,6-methyl-,ethyl ester;Ethyl 2-methoxy-6-methylbenzoate;2-Methoxy-6-methylbenzoic acid ethyl ester
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CAS No:
Benzoic acid, 2-methoxy-6-methyl-, ethyl ester Basic Attributes
194.23
194.23
613-756-7
DTXSID80343629
2918990090
Safety Information
36/37/38
26-36/37/39
P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, P501
H302
|Warning|H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Benzoic acid, 2-methoxy-6-methyl-, ethyl ester Use and Manufacturing
Ethyl 2-hydroxy-6-methylbenzoate (1.0 g, 5.6 mmol), methyl iodide (866 mg, 6.1 mmol) and potassium carbonate (1.5 g, 11.1 mmol) was dissolved in acetone and refluxed for 17 hours. Water was added to the reaction mixture to terminate the reaction, and the mixture was extracted with dichloromethane. The organic layer was dried over anhydrous magnesium sulfate, and the solvent was evaporated under reduced pressure. The residue was purified by chromatography The residue was purified by chromatography (100percent hexane) to obtain the title compound (1.1 g, yield: 99percent)
Computed Properties
Molecular Weight:194.23
XLogP3:2.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:194.094294304
Monoisotopic Mass:194.094294304
Topological Polar Surface Area:35.5
Heavy Atom Count:14
Complexity:191
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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