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HomeProduct name list4-Acetylbenzoic acid

4-Acetylbenzoic acid

Synonym(s):Acetophenone-4-carboxylic acid

  • CAS NO.:586-89-0
  • Empirical Formula: C9H8O3
  • Molecular Weight: 164.16
  • MDL number: MFCD00002561
  • EINECS: 209-588-5
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-12-04 20:40:58
4-Acetylbenzoic acid Structural

What is 4-Acetylbenzoic acid?

Chemical properties

White to light yellow crystal powder

The Uses of 4-Acetylbenzoic acid

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.]

Properties of 4-Acetylbenzoic acid

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)
form  Crystals or Crystalline Powder
pka pK1: 3.70 (25°C)
color  White
Water Solubility  soluble
BRN  2207355
CAS DataBase Reference 586-89-0(CAS DataBase Reference)
NIST Chemistry Reference 4-Acetylbenzoic acid(586-89-0)

Safety information for 4-Acetylbenzoic acid

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 4-Acetylbenzoic acid

InChIKey QBHDSQZASIBAAI-UHFFFAOYSA-N

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