1-(4-Hydroxyphenyl)-1-butanone Chemical Properties

Melting point:

93°C

Boiling point:

174 °C / 40mmHg

Density 

1.0435 g/cm3(Temp: 24 °C)

storage temp. 

Sealed in dry,Room Temperature

solubility 

soluble in Methanol

form 

powder to crystal

pka

8.05±0.15(Predicted)

color 

White to Yellow to Orange

InChI

InChI=1S/C10H12O2/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7,11H,2-3H2,1H3

InChIKey

GFBLPULLSAPXDC-UHFFFAOYSA-N

SMILES

C(C1=CC=C(O)C=C1)(=O)CCC

CAS DataBase Reference

1009-11-6(CAS DataBase Reference)

NIST Chemistry Reference

1-(4-Hydroxyphenyl)-1-butanone(1009-11-6)

EPA Substance Registry System

1-Butanone, 1-(4-hydroxyphenyl)- (1009-11-6)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36/37/39

Hazard Note 

Irritant

HS Code 

2914500090

1-(4-Hydroxyphenyl)-1-butanone Usage And Synthesis

Uses

4'-HYDROXYBUTYROPHENONE is a useful research chemical.

Synthesis

General method: phenol (0.28 mmol) and n-butyryl chloride (0.28 mmol) were dissolved in trifluoromethanesulfonic acid (TfOH, 3 mL) at 0°C. The reaction mixture was gradually warmed up to room temperature and the reaction was carried out for the time shown in Table 2. Upon completion of the reaction, the mixture was poured into a mixture of cold water and ethyl acetate. The organic layer was separated and washed sequentially with 1 M hydrochloric acid, saturated sodium bicarbonate solution and saturated sodium chloride solution. The organic layer was dried with anhydrous magnesium sulfate, filtered and the filtrate concentrated. The residue was purified by silica gel column chromatography to give 4'-hydroxybutyrophenone. The spectral data of all the products were in agreement with those reported in the literature.

References

[1] Tetrahedron, 2011, vol. 67, # 3, p. 641 - 649
[2] Chemische Berichte, 1985, vol. 118, # 8, p. 3332 - 3349
[3] Journal fuer Praktische Chemie (Leipzig), 1989, vol. 331, # 4, p. 617 - 630
[4] Journal of the Chemical Society, 1889, vol. 55, p. 551
[5] Journal of the Chemical Society, 1896, vol. 69, p. 1176

1-(4-Hydroxyphenyl)-1-butanone(1009-11-6)Related Product Information

• 4-Hydroxybenzoic acid
• 4-Hydroxybenzaldehyde
• 4-Hydroxyphenylacetic acid
• 4'-Hydroxyacetophenone
• 4-Methoxyphenol
• 4-Hydroxy-D-(-)-2-phenylglycine
• 4-Hydroxybenzyl alcohol
• Methylparaben
• Triclosan
• 2'-Hydroxy-3-phenylpropiophenone
• 4-Cyanophenol
• 2,3,4-Trihydroxybenzoic acid
• Naringenin
• 4-Hexanoylresorcinol
• 2-Butanone
• 5-METHOXY-1-INDANONE-3-ACETIC ACID
• Phlorizin
• Raspberry Ketone