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278564

Sigma-Aldrich

4′-Hydroxyacetophenone

99%

Sinônimo(s):

4-Hydroxyphenylethanone, p-Acetophenol, p-Hydroxyphenyl methyl ketone, Piceol

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About This Item

Fórmula linear:
HOC6H4COCH3
Número CAS:
99-93-4
Peso molecular:
136.15
Beilstein:
774355
Número CE:
202-802-8
Número MDL:
MFCD00002359
Código UNSPSC:
12352100
ID de substância PubChem:
24856821
NACRES:
NA.22

Ensaio

99%

forma

solid

pb

147-148 °C/3 mmHg (lit.)

pf

109-111 °C (lit.)

solubilidade

95% ethanol: 5%, colorless to faintly yellow

cadeia de caracteres SMILES

CC(=O)c1ccc(O)cc1

InChI

1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3

chave InChI

TXFPEBPIARQUIG-UHFFFAOYSA-N

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Descrição geral

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

Aplicação

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.

Pictogramas

Exclamation mark
GHS07

Palavra indicadora

Warning

Frases de perigo

H319,H412

Classificações de perigo

Aquatic Chronic 3 - Eye Irrit. 2

Código de classe de armazenamento

13 - Non Combustible Solids

Classe de risco de água (WGK)

WGK 1

Ponto de fulgor (°F)

330.8 °F

Ponto de fulgor (°C)

166 °C

Equipamento de proteção individual

dust mask type N95 (US), Eyeshields, Gloves

Certificados de análise (COA)

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Ebru Mete et al.
Molecules (Basel, Switzerland), 12(12), 2579-2588 (2008-02-09)
1-Aryl-3-phenethylamino-1-propanone hydrochlorides 1-10, which are potentialpotent cytotoxic agents, were synthesized via Mannich reactions using paraformaldehyde,phenethylamine hydrochloride as the amine component and acetophenone, 4'-methyl-, 4'-methoxy-, 4'-chloro-, 4'-fluoro-, 4'-bromo-, 2',4'-dichloro-, 4'-nitro-, 4'-hydroxyacetophenone or 2-acetylthiophene as the ketone component. Yields were in the87-98
Carlos E S Bernardes et al.
The journal of physical chemistry. B, 116(17), 5179-5184 (2012-04-12)
A molecular dynamics simulation study of the two known polymorphs of 4′-hydroxyacetophenone (HAP; form I, monoclinic; form II, orthorhombic) is described. The modeling of the lattice energetics was found to be particularly sensitive to the atomic point charge (APC) selection
Colbie R Chinowsky et al.
Molecular biology of the cell, 31(25), 2803-2815 (2020-10-08)
Brush border microvilli enable functions that are critical for epithelial homeostasis, including solute uptake and host defense. However, the mechanisms that regulate the assembly and morphology of these protrusions are poorly understood. The parallel actin bundles that support microvilli have
Kevin D Altria et al.
Electrophoresis, 25(4-5), 645-652 (2004-02-26)
We describe the novel use of water-in-oil (W/O) microemulsions to achieve unique separations in microemulsion electrokinetic chromatography (MEEKC). The choice and concentration of the buffer type, surfactant and co-surfactant were all examined and optimized. Separations of a range of neutral
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Journal of pharmaceutical and biomedical analysis, 47(4-5), 847-853 (2008-05-27)
Herba Artemisiae Scopariae is a Chinese herbal medicine widely used for the remedy of liver diseases. A high performance liquid chromatography method coupled with diode array detection was developed to simultaneously determine 13 different bioactive compounds in Herba Artemisiae Scopariae
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