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CAS 16537-19-2

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tert-butyl 3-methylbenzoate

Description:
Tert-butyl 3-methylbenzoate, with the CAS number 16537-19-2, is an ester derived from the reaction of tert-butyl alcohol and 3-methylbenzoic acid. This compound typically appears as a colorless to pale yellow liquid with a pleasant, fruity odor. It is characterized by its relatively low volatility and moderate solubility in organic solvents, while being less soluble in water due to its hydrophobic tert-butyl group. The molecular structure features a tert-butyl group attached to the ester functional group, which contributes to its stability and reactivity. Tert-butyl 3-methylbenzoate is often used in organic synthesis and as a flavoring agent or fragrance in various applications. Its chemical properties include a moderate boiling point and a specific density, which can vary based on temperature and purity. Safety data indicates that it should be handled with care, as it may cause irritation upon contact with skin or eyes. Overall, this compound is valued for its utility in both industrial and laboratory settings.
Formula:C12H16O2
InChI:InChI=1/C12H16O2/c1-9-6-5-7-10(8-9)11(13)14-12(2,3)4/h5-8H,1-4H3
SMILES:Cc1cccc(c1)C(=O)OC(C)(C)C
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