4-Acetylbenzoic acid Chemical Properties

Melting point:

208-210 °C(lit.)

Boiling point:

251.61°C (rough estimate)

Density 

1.2132 (rough estimate)

refractive index 

1.5380 (estimate)

storage temp. 

Sealed in dry,Room Temperature

solubility 

DMSO (Slightly), Methanol (Slightly)

pka

pK1: 3.70 (25°C)

form 

Crystals or Crystalline Powder

color 

White

Water Solubility 

soluble

BRN 

2207355

InChIKey

QBHDSQZASIBAAI-UHFFFAOYSA-N

CAS DataBase Reference

586-89-0(CAS DataBase Reference)

NIST Chemistry Reference

4-Acetylbenzoic acid(586-89-0)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38-37/38-36

Safety Statements 

37/39-26-36-24/25

WGK Germany 

3

HS Code 

29183000

MSDS

• Language:English Provider:Acetophenone-4-carboxylic acid
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

4-Acetylbenzoic acid Usage And Synthesis

Uses

4-Acetylbenzoic Acid is an intermediate used to prepare Curcumin Analogs with anti-oxidant activities. It is also used in the synthesis of quinuclidine benzamides as agonists of α7 nicotinic acetylcholine receptors.

Chemical Properties

White to light yellow crystal powder

Uses

4-Acetylbenzoic acid was used in the preparation of an ester-derivative of paclitaxel.

Synthesis Reference(s)

Synthesis, p. 715, 1974 DOI: 10.1055/s-1974-23412

Purification Methods

4-AcDissolve the acid in 5% aqueous NaOH, extract it with Et2O, and acidify the aqueous solution. Collect the precipitate, and recrystallise it from boiling H2O (100 parts) using decolorising charcoal [Pearson et al. J Org Chem 24 504 1959, Pearson et al. J Chem Soc 265 1957, Detweiler & Amstutz J Am Chem Soc 72 2882 1950, Bordwell & Cooper J Am Chem Soc 74 1058 1952]. [Beilstein 10 IV 2769.]

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