278564

4′-Hydroxyacetophenone

99%

• Synonym(s): 4-Hydroxyphenylethanone, p-Acetophenol, p-Hydroxyphenyl methyl ketone, Piceol
• Linear Formula: HOC₆H₄COCH₃
• CAS Number: 99-93-4
• Molecular Weight: 136.15
• UNSPSC Code: 12352100
• NACRES: NA.22
• PubChem Substance ID: 24856821
• EC Number: 202-802-8
• Beilstein/REAXYS Number: 774355
• MDL number: MFCD00002359
• Assay: 99%
• Form: solid

Properties

• Quality Segment: 200
• assay: 99%
• form: solid
• bp: 147-148 °C/3 mmHg (lit.)
• mp: 109-111 °C (lit.)
• solubility: 95% ethanol: 5%, colorless to faintly yellow
• functional group: ketone
• SMILES string: CC(=O)c1ccc(O)cc1
• InChI: 1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3
• InChI key: TXFPEBPIARQUIG-UHFFFAOYSA-N

Description

General description

Molecular dynamics simulation study of the two known polymorphs of 4′-hydroxyacetophenone (form I, monoclinic; form II, orthorhombic) has been described.

Application

4′-Hydroxyacetophenone has been used as ketone component in the preparation of 1-aryl-3-phenethylamino-1-propanone hydrochlorides, potential cytotoxic agents, via Mannich reactions.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Codes: H319,H412
• Precautionary Statements: P264 - P273 - P280 - P305 + P351 + P338 - P337 + P313 - P501
• Hazard Classifications: Aquatic Chronic 3 - Eye Irrit. 2
• WGK: WGK 1
• Flash Point (°F): 330.8 °F
• Flash Point (°C): 166 °C
• PPE (personal protective equipment): dust mask type N95 (US), Eyeshields, Gloves
• Storage Class: 11 - Combustible Solids