ChemicalBook--->CAS DataBase List--->40150-92-3

40150-92-3

40150-92-3 Structure

40150-92-3 Structure
IdentificationBack Directory
[Name]

1-(4-Isobutylphenyl)ethanol
[CAS]

40150-92-3
[Synonyms]

IBUPROFEN IMP D2
Ibuprofen Impurity 32
Ibuprofen IMpurity-Q(EP/BP)
α-(4-Isobutylphenyl)ethanol
1-(4-ISOBUTYLPHENYL)ETHANOL
α-(4-Isobutylphenyl)ethanol
alpha-(4-Isobutylphenyl)ethanol
(1-HYDROXYETHYL)-4-ISOBUTYLBENZENE
1-[4-(2-methylpropyl)phenyl]ethanol
1-[4-(2-METHYLPROPYL)PHENYL]ETHAN-1-OL
α-Methyl-4-(2-Methylpropyl)benzeneMethanol
(1-HYDROXYETHYL)-4-(2-METHYLPROPYL)BENZENE
Benzenemethanol, α-methyl-4-(2-methylpropyl)-
Ibuprofen impurity 11/α-(4-Isobutylphenyl)ethanol
Ibuprofen Impurity 3 (1-(4-Isobutylphenyl)Ethanol)
Ibuprofen - In house impurity/(1-Hydroxyethyl)-4-(2-methylpropyl)benzene
[EINECS(EC#)]

641-487-5
[Molecular Formula]

C12H18O
[MDL Number]

MFCD08275597
[MOL File]

40150-92-3.mol
[Molecular Weight]

178.27
Chemical PropertiesBack Directory
[Boiling point ]

111 °C(Press: 1 Torr)
[density ]

0.954±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

Oil
[pka]

14.53±0.20(Predicted)
[color ]

Colourless
[EPA Substance Registry System]

Benzenemethanol, .alpha.-methyl-4-(2-methylpropyl)- (40150-92-3)
Safety DataBack Directory
[Symbol(GHS) ]


GHS07,GHS05
[Signal word ]

Danger
[Hazard statements ]

H335-H318-H315-H302
[Precautionary statements ]

P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Hazard InformationBack Directory
[Uses]

1-(4-Isobutylphenyl)ethanol is a photodegradation product of Ibuprofen (I140000). Shows cytotoxicity activity.
[Preparation]

1-(4-Isobutylphenyl)ethanol synthesis: A solution of p-isobutylacetophenone (1.20mL), methanol (3.00mL), and sodium borohydride (0.2509g) was mixed in a separatory funnel and allowed to sit for 10min. After the standing time period, a 10 % HCl solution (10.0 mL) was added to remove any unreacted sodium borohydride, and the product was extracted using petroleum ether. 1-(4-Isobutylphenyl)ethanol product (1.002g, 87.2%) was collected and dried using anhydrous sodium sulfate.
1HNMR (300MHz, CDCl3): δ7.281 (2H, m, J = 4.0 Hz), δ7.174 (2H, m, J = 4.0 Hz), δ4.855 (1H, s, J =0.92Hz), δ2.714 (3H, q, J =2.2Hz), δ2.554 (2H, t, J = 2.8 Hz), δ1.795 (1H, q, J = 2.7 Hz), δ1.484 (1H, m, J =2.8Hz), δ0.976 (6H, q, J =6.1Hz). 13C NMR (300 MHz, CDCl3): 143.325, 140.684, 129.143, 125.357, 70.034, 45.196, 30.343, 25.076, 22.725, 22.465.
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