CAS 16094-31-8

5-(1,1-Dimethylethyl)-2-hydroxybenzoic acid

Description:

5-(1,1-Dimethylethyl)-2-hydroxybenzoic acid, commonly known as a derivative of salicylic acid, is characterized by its aromatic structure featuring a hydroxyl group and a carboxylic acid functional group. This compound is typically a white to off-white crystalline solid, exhibiting moderate solubility in polar solvents such as water and alcohols, while being less soluble in non-polar solvents. The presence of the bulky tert-butyl group (1,1-dimethylethyl) enhances its hydrophobic characteristics, influencing its reactivity and interactions in various chemical environments. It is often utilized in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Additionally, its hydroxyl and carboxylic acid functionalities contribute to its potential as an antioxidant and anti-inflammatory agent. Safety data indicates that, like many organic compounds, it should be handled with care, as it may pose risks if ingested or inhaled. Overall, this compound's unique structure and properties make it of interest in both industrial and research applications.

Formula: C₁₁H₁₄O₃

InChI: InChI=1S/C11H14O3/c1-11(2,3)7-4-5-9(12)8(6-7)10(13)14/h4-6,12H,1-3H3,(H,13,14)

InChI key: InChIKey=XAICWTLLSRXZPB-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=CC(C(C)(C)C)=CC=C1O

Synonyms:

• 2-Hydroxy-5-tert-butylbenzoic acid
• 5-(1,1-Dimethylethyl)-2-hydroxybenzoic acid
• 5-Tert-Butyl-2-Hydroxybenzoic Acid
• 5-tert-Butylsalicylic acid
• Ai3-25423
• Benzoic acid, 5-(1,1-dimethylethyl)-2-hydroxy-
• NSC 53153
• NSC 94402
• Salicylic acid, 5-tert-butyl-

Benzoic acid, 5-(1,1-dimethylethyl)-2-hydroxy-

CAS: 16094-31-8

Formula: C₁₁H₁₄O₃

Purity: 96%

Color and Shape: Solid

Molecular weight: 194.2271

Ref: IN-DA001VIL

5-tert-Butyl-2-hydroxybenzoic acid

CAS: 16094-31-8

5-tert-Butyl-2-hydroxybenzoic acid

Formula: C₁₁H₁₄O₃

Purity: 96%

Color and Shape: white to off-white solid

Molecular weight: 194.23g/mol

Ref: 54-OR927645

5-(tert-Butyl)-2-hydroxybenzoic acid

CAS: 16094-31-8

Formula: C₁₁H₁₄O₃

Purity: 96%

Molecular weight: 194.23

Ref: 10-F447416

5-tert-Butyl-2-hydroxybenzoic acid

CAS: 16094-31-8

5-tert-Butyl-2-hydroxybenzoic acid (5BHB) is a synthetic, hydrophobic and polyvalent compound that can reversibly activate xenobiotic metabolizing enzymes. 5BHB has been shown to induce CYP1A2 activity in human liver cells, as well as increase the activity of other xenobiotic metabolizing enzymes such as CYP3A4, CYP2D6, and CYP2C19. This activation occurs through the direct binding of 5BHB to nuclear receptors, which are proteins embedded within the cell membrane that bind with specific hormones or other molecules. A cavity within the receptor binds with the hydrophobic 5BHB molecule. The activation of these enzymes leads to increased metabolism of foreign compounds in the body and may be beneficial in reducing drug toxicity.

Formula: C₁₁H₁₄O₃

Purity: Min. 98 Area-%

Color and Shape: Powder

Molecular weight: 194.23 g/mol

Ref: 3D-RAA09431