| Identification | Back Directory | [Name]
METHYL 2-(4-ISOBUTYLPHENYL)PROPANOATE | [CAS]
61566-34-5 | [Synonyms]
Ibuprofen methyl
IBUPROFEN IMP F2
Ibuprofen Impurity 33
IBUPROFEN METHYL ESTER
METHYL 2-(4-ISOBUTYLPHENYL)PROPANOATE
Methyl 2-(4-isobutylphenyl)propionate
methyl 2-(4-isopropylphenyl)propionate
METHYL-2-[4-(2-METHYLPROPYL)PHENYL]PROPANOATE
METHYL 2-[4-(2-METHYLPROPYL)PHENYL]PROPIONATE
2-(4-Isobutylphenyl)propanoic acid methyl ester
2-(4-Isobutylphenyl)propionic Acid Methyl Ester
α-Methyl-4-isobutylbenzeneacetic acid methyl ester
Methyl-2-[4-(2-methylpropyl)phenyl]propanoate in methanol
α-Methyl-4-(2-methylpropyl)benzeneacetic acid methyl ester
Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, methyl ester
Benzeneacetic acid, α-methyl-4-(2-methylpropyl)-, methyl ester
Methyl 2-[4-(2-methylprop-1-yl)phenyl]propionate, Methyl 2-[4-(2-methylprop-1-yl)phenyl]propanoate | [EINECS(EC#)]
262-853-7 | [Molecular Formula]
C14H20O2 | [MDL Number]
MFCD00869922 | [MOL File]
61566-34-5.mol | [Molecular Weight]
220.31 |
| Chemical Properties | Back Directory | [Boiling point ]
100 °C | [density ]
0.976±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform (Slightly), Ethyl Acetate (Slightly) | [form ]
Oil | [color ]
Colourless | [InChI]
1S/C14H20O2/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(15)16-4/h5-8,10-11H,9H2,1-4H3 | [InChIKey]
YNZYUHPFNYBBFF-UHFFFAOYSA-N | [SMILES]
COC(=O)C(C)c1ccc(CC(C)C)cc1 |
| Hazard Information | Back Directory | [Uses]
(±)-Ibuprofen Methyl Ester is a phototoxic, photoproduct of Ibuprofen (I140000), a selective cyclooxygenase inhibitor (IC50=14.9uM). Inhibits PGH synthase-1 and PGH synthase-2 with comparable potency. Ibuprofen is also used as an anti-inflammatory drug. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 53, p. 4858, 1988 DOI: 10.1021/jo00255a037
Synthesis, p. 1044, 1986 DOI: 10.1055/s-1986-31868 |
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