CAS 51407-46-6

2-(4-Isobutylphenyl)propanal

Description:

2-(4-Isobutylphenyl)propanal, with the CAS number 51407-46-6, is an organic compound characterized by its structure, which features a propanal group attached to a phenyl ring that has an isobutyl substituent. This compound typically appears as a colorless to pale yellow liquid and is known for its aromatic properties, which can contribute to its use in fragrance formulations. The presence of the isobutyl group enhances its hydrophobic characteristics, influencing its solubility in organic solvents while making it less soluble in water. The compound may exhibit moderate volatility and can participate in various chemical reactions typical of aldehydes, such as oxidation and condensation. Its unique structure allows it to interact with biological systems, which may be relevant in studies of its potential applications in perfumery or as a flavoring agent. Safety data should be consulted for handling and exposure guidelines, as with any chemical substance.

Formula: C₁₃H₁₈O

InChI: InChI=1S/C13H18O/c1-10(2)8-12-4-6-13(7-5-12)11(3)9-14/h4-7,9-11H,8H2,1-3H3

InChI key: InChIKey=DMZVZANOMJGHKO-UHFFFAOYSA-N

SMILES: C(C(C)C)C1=CC=C(C(C=O)C)C=C1

Synonyms:

• 2-(4-Isobutylphenyl)propanal
• 2-(p-Isobutylphenyl)propanal
• 2-(p-Isobutylphenyl)propionaldehyde
• 2-[4-(2-Methylpropyl)Phenyl]Propanal
• Benzeneacetaldehyde, α-methyl-4-(2-methylpropyl)-
• Ibuprofenal
• p-Isobutyl-2-phenylpropionaldehyde
• α-(p-Isobutylphenyl)propionaldehyde
• α-Methyl-4-(2-methylpropyl)benzeneacetaldehyde
• 2-(4-Isobutylphenyl)propionaldehyde

Ibuprofen Impurity 8

CAS: 51407-46-6

Formula: C₁₃H₁₈O

Color and Shape: Colorless Oil

Molecular weight: 190.29

Ref: 4Z-I-0464

(2RS)-2-[4-(2-Methylpropyl)phenyl]propan-1-al

CAS: 51407-46-6

Color and Shape: Colourless

Ref: 86-MM0002.49

2-(4-Isobutylphenyl)propanal

CAS: 51407-46-6

Formula: C₁₃H₁₈O

Molecular weight: 190.28

Ref: ST-EA-CP-I2021

2-(4-Isobutylphenyl)propanal

CAS: 51407-46-6

Stability Hygroscopic
Applications 2-(4-Isobutylphenyl)propanal is an impurity of the drug Ibuprofen (I140000), a selective cyclooxygenase inhibitor that also inhibits PGH synthase-1 and PGH synthase-2 with comparable potency.
References Busson, M., et al.: J. Int. Med Res., 14, 53 (1986), Meade, E.A., et al.: J. Biol. Chem., 268, 6610 (1993), Davies, N.M., et al.: Clin. Pharmacokinet., 34, 101 (1998); (4) Chem. and Eng. News p9, July 4 (2016)

Formula: C₁₃H₁₈O

Color and Shape: Neat

Molecular weight: 190.28

Ref: TR-I780360