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CAS 66644-68-6

:

Ethyl 3-methylbenzoylformate

Description:
Ethyl 3-methylbenzoylformate, with the CAS number 66644-68-6, is an organic compound that belongs to the class of esters. It is characterized by its structure, which includes an ethyl group, a 3-methylbenzoyl moiety, and a formate functional group. This compound typically appears as a colorless to pale yellow liquid with a pleasant aromatic odor. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic nature. Ethyl 3-methylbenzoylformate is often used in organic synthesis and may serve as an intermediate in the production of various pharmaceuticals and agrochemicals. Its reactivity is influenced by the presence of the carbonyl groups, making it susceptible to nucleophilic attack. Additionally, it may exhibit properties such as moderate volatility and stability under standard conditions, although specific handling precautions should be observed due to potential irritant effects. As with many organic compounds, safety data sheets should be consulted for proper handling and storage guidelines.
Formula:C11H12O3
InChI:InChI=1S/C11H12O3/c1-3-14-11(13)10(12)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
InChI key:InChIKey=KSCQWCKUWIRNOQ-UHFFFAOYSA-N
SMILES:C(C(OCC)=O)(=O)C1=CC(C)=CC=C1
Synonyms:
  • Benzeneacetic Acid, 3-Methyl-Alpha-Oxo-, Ethyl Ester
  • Benzeneacetic acid, 3-methyl-α-oxo-, ethyl ester
  • Ethyl (3-methylphenyl)glyoxylate
  • Ethyl 3-methylbenzoylformate
  • Glyoxylic acid, m-tolyl-, ethyl ester
  • Ethyl (3-methylphenyl)(oxo)acetate
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