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
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) |
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 |
4-Acetylbenzoic acid manufacturer
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