CAS 1620-64-0

Ethyl 3,5-bis(1,1-dimethylethyl)-4-hydroxybenzoate

Description:

Ethyl 3,5-bis(1,1-dimethylethyl)-4-hydroxybenzoate, commonly known as a derivative of hydroxybenzoic acid, is an organic compound characterized by its ester functional group and the presence of bulky tert-butyl groups. This compound typically appears as a white to off-white solid and is known for its stability and low volatility. It exhibits antioxidant properties, making it useful in various applications, including as a preservative in cosmetics and personal care products. The presence of the hydroxy group contributes to its solubility in organic solvents, while the ethyl ester enhances its lipophilicity. Additionally, the bulky tert-butyl substituents provide steric hindrance, which can influence its reactivity and interactions with other molecules. Ethyl 3,5-bis(1,1-dimethylethyl)-4-hydroxybenzoate is also studied for its potential applications in pharmaceuticals and materials science due to its unique structural features. Safety data should be consulted for handling and exposure guidelines, as with any chemical substance.

Formula: C₁₇H₂₆O₃

InChI: InChI=1/C17H26O3/c1-8-20-15(19)11-9-12(16(2,3)4)14(18)13(10-11)17(5,6)7/h9-10,18H,8H2,1-7H3

InChI key: InChIKey=ACGYFGHQFAXLCI-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 3,5-di-tert-butyl-4-hydroxy-, ethyl ester
• benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester
• Ethyl 3,5-di-tert-butyl-4-hydroxybenzoate
• Benzoic acid, 3,5-di-tert-butyl-4-hydroxy-, ethyl ester
• Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester
• Ethyl 3,5-bis(1,1-dimethylethyl)-4-hydroxybenzoate
• 3,5-Di-tert-butyl-4-hydroxybenzoic acid ethyl ester
• ETHYL3,5-DI-TERT-BUTYL-4-HYDROXYBENZOATE
• 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzoic acid ethyl ester

Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, ethyl ester

CAS: 1620-64-0

Formula: C₁₇H₂₆O₃

Purity: 95%

Color and Shape: Solid

Molecular weight: 278.3865

Ref: IN-DA001SM3

ethyl 3,5-di-tert-butyl-4-hydroxybenzoate

CAS: 1620-64-0

Ethyl 3,5-di-tert-butyl-4-hydroxybenzoate is a metabolite of hydroxycinnamic acid. It is involved in the metabolism of amino acids and has been shown to be a marker for chronic gastritis. Gas chromatography/mass spectrometry (GC/MS) has been used to identify this metabolite in human plasma and urine samples. Ethyl 3,5-di-tert-butyl-4-hydroxybenzoate has also been shown to inhibit cystathionine synthase and the sulfotransferase pathway. These pathways are associated with the production of hydrogen sulfide, which is responsible for many gastrointestinal diseases such as gastritis.

Formula: C₁₇H₂₆O₃

Purity: Min. 95%

Molecular weight: 278.39 g/mol

Ref: 3D-BAA62064

ethyl 3,5-di-tert-butyl-4-hydroxybenzoate

CAS: 1620-64-0

Purity: 95%

Molecular weight: 278.3919983

Ref: 10-F603354