CAS 5406-57-5

Ethyl 4-(1,1-dimethylethyl)benzoate

Description:

Ethyl 4-(1,1-dimethylethyl)benzoate, with the CAS number 5406-57-5, is an organic compound belonging to the class of esters. It is characterized by its structure, which features a benzoate group attached to an ethyl group and a tert-butyl substituent at the para position of the aromatic ring. This compound is typically a colorless to pale yellow liquid with a pleasant, fruity odor, making it useful in flavoring and fragrance applications. Ethyl 4-(1,1-dimethylethyl)benzoate is relatively stable under standard conditions but may undergo hydrolysis in the presence of strong acids or bases. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic nature. The compound is often utilized in the synthesis of other organic molecules and may exhibit low toxicity, although safety precautions should be taken when handling it. As with many esters, it may also participate in various chemical reactions, including transesterification and esterification.

Formula: C₁₃H₁₈O₂

InChI: InChI=1/C13H18O2/c1-5-15-12(14)10-6-8-11(9-7-10)13(2,3)4/h6-9H,5H2,1-4H3

InChI key: InChIKey=LIQWHXBLFOERRD-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=CC=C(C(C)(C)C)C=C1

Synonyms:

• 4-t-Butylbenzoic acid ethyl ester
• 4-tert-Butylbenzoic acid ethyl ester
• Benzoic acid, 4-(1,1-dimethylethyl)-, ethyl ester
• Benzoic acid, p-tert-butyl-, ethyl ester
• Ethyl 4-(1,1-dimethylethyl)benzoate
• Ethyl p-tert-butylbenzoate
• NSC 7038
• Ethyl 4-tert-butylbenzoate
• RARECHEM AL BI 0269
• Ethyl 4-trans-butylbenzoate
• ETHYL-P-TERT-BUTYL BENZOATE

Ethyl 4-tert-butylbenzoate

CAS: 5406-57-5

Formula: C₁₃H₁₈O₂

Purity: 97%

Color and Shape: Liquid

Molecular weight: 206.285

Ref: 10-F098395