CAS 98-73-7

4-tert-Butylbenzoic acid

Description:

4-tert-Butylbenzoic acid, with the CAS number 98-73-7, is an aromatic carboxylic acid characterized by a benzoic acid structure with a tert-butyl group attached to the para position of the benzene ring. This compound typically appears as a white to off-white crystalline solid and is known for its relatively low solubility in water, while being more soluble in organic solvents such as ethanol and acetone. The presence of the bulky tert-butyl group influences its physical properties, including melting and boiling points, and contributes to its steric hindrance, which can affect its reactivity and interactions with other molecules. 4-tert-Butylbenzoic acid is utilized in various applications, including as an intermediate in organic synthesis and in the production of polymers and pharmaceuticals. Additionally, it exhibits potential as a stabilizer in certain formulations due to its ability to inhibit degradation processes. As with many organic acids, it can participate in acid-base reactions and may exhibit varying degrees of acidity depending on the solvent and conditions.

Formula: C₁₁H₁₄O₂

InChI: InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)

InChI key: InChIKey=KDVYCTOWXSLNNI-UHFFFAOYSA-N

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

Synonyms:

• 4-(1,1-Dimethylethyl)benzoic acid
• 4-Tert-Butylbenzoate
• 4-Tertiary-butylbenzoic acid
• 4-t-Butylbenzoic acid
• 4-tert-Butylbenzoesaure
• Acide 4-tert-butylbenzoique
• Acido 4-Terc-Butilbenzoico
• Benzoic Acid, 4-Tert-Butyl-
• Benzoic acid, 4-(1,1-dimethylethyl)-
• Benzoic acid, p-tert-butyl-
• Butylbenzoicacid
• Nsc 4802
• P-Tert-Butyl-Benzoic Acid
• P-Tert-Butylbenzoesaeure
• Para Tertiary Butylbenzoic Acid
• Para-tert butyl benzoic acid
• Ptbba
• p-t-Butylbenzoic acid
• p-tert-Butylbenzoic acid
• p-tert-Butylphenylcarboxylic acid
• 4-tert-Butylbenzoic acid
• p-Secondary-butylbenzoic acid
• AKOS BBS-00003714
• 4-tbba
• kyselinap-terc.butylbenzoova
• Kyselina p-terc.butylbenzoova
• p-sec-Butylbenzoic acid
• 4-(1,1-dimethylethyl)benzoicacid
• Benzoicacid,4-(1,1-dimethylethyl)-
• RARECHEM AL BO 0693
• 4-(1,1-dimethylethyl)-benzoicaci
• 4-(1,1-dimethylethyl)-Benzoicacid
• acidetert-butyl-4benzoique

4-tert-Butylbenzoic acid, 99%

CAS: 98-73-7

4-tert-Butylbenzoic acid as a thermal stabilizer in PVC. It is used as a intermediate in chemical industry for producing esters of PTBBA, a chain stop agent in resins. It used as a potent yeast sirtuin (Sir2p) inhibitor. This Thermo Scientific Chemicals brand product was originally part of the Alfa

Formula: C₁₁H₁₄O₂

Purity: 99%

Color and Shape: White to cream, Crystals or powder or crystalline powder or flakes

Molecular weight: 178.23

Ref: 02-A13997

4-(tert-Butyl)benzoic acid

CAS: 98-73-7

Formula: C₁₁H₁₄O₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 178.2277

Ref: IN-DA003M15

4-tert-Butylbenzoic acid

CAS: 98-73-7

4-tert-Butylbenzoic acid

Purity: 95%

Molecular weight: 178.23g/mol

Ref: 54-OR911294

4-tert-Butylbenzoic-d13 Acid

CAS: 98-73-7

Formula: (CD₃)₃CC₆D₄COOH

Purity: 99 atom % D

Molecular weight: 191.18098

Ref: 3U-D7697

4-tert-Butylbenzoic Acid

CAS: 98-73-7

Formula: C₁₁H₁₄O₂

Purity: >99.0%(T)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 178.23

Ref: 3B-B0717

4-tert-Butylbenzoic acid

CAS: 98-73-7

4-tert-Butylbenzoic acid is a 4-dimethylaminobenzoic acid derivative that has been used as a potential antidepressant. It has shown to have a high solubility in water, which may be due to hydrogen bonding interactions with the amino group of cyclen. The binding constants for 4-tert-butylbenzoic acid and cyclen have been found to be stronger than those for 4-dimethylaminobenzoic acid and cyclen. This suggests that 4-tert-butylbenzoic acid is more potent than 4-dimethylaminobenzoic acid. Process optimization studies on the synthesis of this compound have been carried out using x-ray crystal structures to determine optimum conditions. In vitro experiments using human urine samples revealed that the concentration of 4-tert-butylbenzoic acid was higher in urine samples containing amines than those without amines, suggesting that it may

Formula: C₁₁H₁₄O₂

Purity: Min. 95%

Molecular weight: 178.23 g/mol

Ref: 3D-FB00911

4-tert-Butylbenzoic acid

CAS: 98-73-7

Formula: C₁₁H₁₄O₂

Purity: 98%

Color and Shape: Solid, White flakes

Molecular weight: 178.231

Ref: 10-F078571

4-​tert-​Butylbenzoic Acid

CAS: 98-73-7

Applications 4-​tert-​Butylbenzoic Acid is a general chemical reactant/reagent used in the synthesis of Arylboronic Acids as dual-action FAAH and TRPV1 ligands. As well, used in the preparation of cellular chemical probes targetting PRC1 (polycomb repressive complex 1) for prostate cancer cells.
References Morera, E. et al.: Bioorg. Med. Chem. Lett., 26, 1401 (2016); Stuckey, J. et al.: Nat. Chem. Biol., 12, 180 (2016);

Formula: C₁₁H₁₄O₂

Color and Shape: Neat

Molecular weight: 178.23

Ref: TR-B693235