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CAS 120-33-2

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Ethyl 3-methylbenzoate

Description:
Ethyl 3-methylbenzoate, with the CAS number 120-33-2, is an aromatic ester characterized by its pleasant, fruity odor, making it useful in flavoring and fragrance applications. It is derived from the esterification of 3-methylbenzoic acid and ethanol. This compound typically appears as a colorless to pale yellow liquid and is known for its moderate volatility. Ethyl 3-methylbenzoate is soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic aromatic structure. Its molecular formula is C11H14O2, and it has a molecular weight that reflects the presence of both aromatic and aliphatic components. The compound exhibits typical ester reactivity, including hydrolysis and transesterification, under appropriate conditions. Additionally, it may be used in organic synthesis and as an intermediate in the production of various chemical compounds. Safety data indicates that, while it may cause irritation upon contact, it is generally considered to have low toxicity when handled properly.
Formula:C10H12O2
InChI:InChI=1S/C10H12O2/c1-3-12-10(11)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
InChI key:InChIKey=WSJNYOVBJSOQST-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=CC(C)=CC=C1
Synonyms:
  • 3-Methylbenzoic Acid Ethyl Ester
  • Benzoic acid, 3-methyl-, ethyl ester
  • Ethyl 3-Methylbenzoate
  • Ethyl 3-methylbenzoate~m-Toluic acid ethyl ester
  • Ethyl m-methylbenzoate
  • NSC 20009
  • m-Toluic acid, ethyl ester
  • Ethyl m-toluate
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