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CAS 13756-42-8

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1,1-Dimethylethyl 4-methylbenzoate

Description:
1,1-Dimethylethyl 4-methylbenzoate, also known by its CAS number 13756-42-8, is an organic compound characterized by its ester functional group. It is derived from the reaction of 4-methylbenzoic acid and 1,1-dimethylethanol. This compound typically appears as a colorless to pale yellow liquid with a pleasant aromatic odor. It is relatively non-polar, which influences its solubility properties, making it more soluble in organic solvents than in water. The presence of the bulky tert-butyl group (1,1-dimethylethyl) contributes to its steric hindrance, which can affect its reactivity and interactions with other molecules. 1,1-Dimethylethyl 4-methylbenzoate is often used in the synthesis of various chemical intermediates and may find applications in the fragrance and flavor industry due to its aromatic properties. As with many organic compounds, safety precautions should be taken when handling it, as it may pose health risks if ingested or inhaled.
Formula:C12H16O2
InChI:InChI=1S/C12H16O2/c1-9-5-7-10(8-6-9)11(13)14-12(2,3)4/h5-8H,1-4H3
InChI key:InChIKey=GRUSXPIAJWRLRQ-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)C1=CC=C(C)C=C1
Synonyms:
  • 1,1-Dimethylethyl 4-methylbenzoate
  • 4-Methyl-Benzoic Acid Tert-Butyl Ester
  • 4-Methylbenzoic acid tert-butyl ester
  • Benzoic Acid 4-Methyl,1,1-Dimenthylethyl Ester
  • Benzoic acid, 4-methyl-, 1,1-dimethylethyl ester
  • Tert-Butyl 4-Methylbenzoate
  • p-Toluic acid, tert-butyl ester
  • tert-Butyl p-toluate
  • tert-Butyl p-methylbenzoate
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