ChemicalBook--->CAS DataBase List--->1009-11-6

1009-11-6

1009-11-6 Structure

1009-11-6 Structure
IdentificationMore
[Name]

1-(4-Hydroxyphenyl)-1-butanone
[CAS]

1009-11-6
[Synonyms]

1-(4-HYDROXYPHENYL)-1-BUTANONE
1-(4-Hydroxyphenyl)-3-butanone
1-(4-HYDROXYPHENYL)BUTAN-1-ONE
1-(4-HYDROXYPHENYL)BUTANONE
4-HYDROXYBUTANOPHENONE
4'-HYDROXYBUTYROPHENONE
4-HYDROXYPHENYL PROPYL KETONE
frambinone
P-HYDROXYBUTYROPHENONE
PROPYL 4-HYDROXYPHENYL KETONE
1-(4-hydroxyphenyl)-1-butanon
1-Butanone, 1-(4-hydroxyphenyl)-
4-Butanoylphenol
4-Butyrylphenol
Butyrophenone, 4'-hydroxy-
p-Butyrylphenol
4-HYDROXYPHENYL-1-BUTANONE
[EINECS(EC#)]

213-766-8
[Molecular Formula]

C10H12O2
[MDL Number]

MFCD00020173
[Molecular Weight]

164.2
[MOL File]

1009-11-6.mol
Chemical PropertiesBack Directory
[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]

1009-11-6(EPA Substance)
Questions And AnswerBack Directory
[Uses]

4'-HYDROXYBUTYROPHENONE is a useful research chemical.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[Hazard Note ]

Irritant
[TSCA ]

TSCA listed
[HS Code ]

2914500090
Spectrum DetailBack Directory
[Spectrum Detail]

1-(4-Hydroxyphenyl)-1-butanone(1009-11-6)MS
1-(4-Hydroxyphenyl)-1-butanone(1009-11-6)1HNMR
1-(4-Hydroxyphenyl)-1-butanone(1009-11-6)13CNMR
1-(4-Hydroxyphenyl)-1-butanone(1009-11-6)IR1
1-(4-Hydroxyphenyl)-1-butanone(1009-11-6)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

1009-11-6(sigmaaldrich)
[TCI AMERICA]

4'-Hydroxybutyrophenone,>98.0%(GC)(1009-11-6)
Hazard InformationBack Directory
[Synthesis]

Butyryl chloride

141-75-3

Phenol

108-95-2

1-(4-Hydroxyphenyl)-1-butanone

1009-11-6

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
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