CAS 586-42-5

3-Acetylbenzoic acid

Description:

3-Acetylbenzoic acid, also known as 3-acetyl-2-carboxybenzoic acid, is an aromatic compound characterized by the presence of both an acetyl group and a carboxylic acid functional group attached to a benzene ring. Its molecular formula is C9H8O3, and it features a benzene ring substituted at the 3-position with an acetyl group and at the 1-position with a carboxylic acid group. This compound typically appears as a white to off-white crystalline solid. It is soluble in organic solvents such as ethanol and acetone but has limited solubility in water due to its hydrophobic aromatic structure. 3-Acetylbenzoic acid exhibits acidic properties, allowing it to participate in various chemical reactions, including esterification and acylation. It is often used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals, dyes, and other chemical compounds. Additionally, its derivatives can exhibit biological activity, making it of interest in medicinal chemistry.

Formula: C₉H₈O₃

InChI: InChI=1S/C9H8O3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3,(H,11,12)

InChI key: InChIKey=CHZPJUSFUDUEMZ-UHFFFAOYSA-N

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

Synonyms:

• 3-(1-Oxoethyl)benzoic acid
• 3-Acetylbenzoate
• 3′-Carboxyacetophenone
• Benzoic acid, 3-acetyl-
• Benzoic acid, m-acetyl-
• NSC 2932
• m-Acetylbenzoic acid
• m-Carboxyacetophenone
• 3-Acetylbenzoic acid

3-Acetylbenzoic acid, 98%

CAS: 586-42-5

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₉H₇O₃

Purity: 98%

Color and Shape: White, Powder

Molecular weight: 163.15

Ref: 02-B25616

3-Acetylbenzoic acid

CAS: 586-42-5

Formula: C₉H₈O₃

Purity: 96%

Color and Shape: Solid

Molecular weight: 164.1580

Ref: IN-DA0033KH

3-Acetylbenzoic acid

CAS: 586-42-5

Formula: C₉H₈O₃

Molecular weight: 164.16

Ref: 7W-GK1582

3-Acetylbenzoic Acid

CAS: 586-42-5

Formula: C₉H₈O₃

Purity: >97.0%(GC)(T)

Color and Shape: White to Light yellow powder to crystal

Molecular weight: 164.16

Ref: 3B-A1652

3-Acetylbenzoic acid

CAS: 586-42-5

3-Acetylbenzoic acid

Formula: C₉H₈O₃

Purity: 98%

Color and Shape: white powder

Molecular weight: 164.16g/mol

Ref: 54-OR0060

3-Acetylbenzoic acid

CAS: 586-42-5

Formula: C₉H₈O₃

Purity: 96%

Color and Shape: Solid, Crystalline Powder or Powder

Molecular weight: 164.16

Ref: 10-F021668

3'-Acetophenonecarboxylic acid

CAS: 586-42-5

3'-Acetophenonecarboxylic acid is a synthetic compound that has been shown to inhibit the growth of cancer cells in vivo. Cancer cells have shown increased sensitivity to 3'-acetophenonecarboxylic acid when compared with normal cells. This compound binds to amines and hydroxyl groups, which are found in diols, amines, and alcohols. The molecular modeling study revealed that this compound interacts with hydrogen bonds and forms dihedral angles with carbonyl groups. These interactions inhibit the activity of an enzyme called carboxylesterase, which hydrolyzes esters into carboxylic acids and alcohols. 3'-Acetophenonecarboxylic acid also acts as an inhibitor for conjugates and solutes that are involved in the synthesis of DNA and RNA.

Formula: C₉H₈O₃

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 164.16 g/mol

Ref: 3D-FA57262