Cas no 36039-35-7 (4-(2-Methylpropyl)benzeneethanol)

4-(2-Methylpropyl)benzeneethanol is a synthetic aromatic alcohol with a molecular structure featuring a benzene ring substituted with a 2-methylpropyl group and an ethanol side chain. This compound is valued for its role as an intermediate in organic synthesis, particularly in the production of fragrances, pharmaceuticals, and specialty chemicals. Its structural properties contribute to moderate polarity and solubility in common organic solvents, facilitating its use in controlled reactions. The presence of both aromatic and aliphatic moieties enhances its versatility in derivatization processes. Careful handling is recommended due to potential reactivity under specific conditions. Its stability and well-defined chemical profile make it suitable for research and industrial applications requiring precise molecular modifications.
4-(2-Methylpropyl)benzeneethanol structure
36039-35-7 structure
Product Name:4-(2-Methylpropyl)benzeneethanol
CAS No:36039-35-7
MF:C12H18O
MW:178.270723819733
MDL:MFCD08275595
CID:1059485
PubChem ID:250105
Update Time:2025-06-27

4-(2-Methylpropyl)benzeneethanol Chemical and Physical Properties

Names and Identifiers

    • 4-(2-Methylpropyl)benzeneethanol
    • 2-(4-isobutylphenyl)ethanol
    • 2-[4-(2-methylpropyl)phenyl]ethanol
    • 4-(2-Methylpropyl)be
    • 1-(4-Isobutylphenyl)ethanol
    • 2-(4-isobutylphenyl)-1-ethanol
    • 2-(4-isobutylphenyl)-ethyl alcohol
    • para isobutyl phenylethanol
    • R-(+)-2-(4-isobutylphenyl)-hydroxy-ethane
    • 4-Isobutylphenylethanol
    • Ibuprofen impurity Q (PhEur)
    • NSC 69112
    • Imp. Q (EP): 2-[4-(2-Methylpropyl)phenyl]-ethanol
    • UNII-P3HYT5801E
    • 2-(4-Isobutylphenyl)ethan-1-ol
    • 4-iso-Butylphenethyl alcohol
    • Q27286083
    • F19319
    • IBUPROFEN IMPURITY Q [EP IMPURITY]
    • 2-(4-(2-Methylpropyl)phenyl)ethanol
    • 36039-35-7
    • 2-(4-Isobutylphenyl)ethyl alcohol
    • CS-0274091
    • EN300-1841309
    • AKOS006287447
    • 2-[4-(2-methylpropyl)phenyl]ethan-1-ol
    • 2-[4-(2-Methylpropyl)phenyl]ethanol, pharmaceutical impurity standard
    • NSC-69112
    • Ibuprofen impurity Q [EP]
    • (p-Isobutylphenyl)ethanol
    • DB-069298
    • NSC69112
    • 2-[4-(2-Methylpropyl)phenyl]ethanol; Ibuprofen Imp. Q (EP); Ibuprofen Impurity Q
    • SCHEMBL1977984
    • P3HYT5801E
    • 2-(4'-isobutylphenyl)ethanol
    • Benzeneethanol, 4-(2-methylpropyl)-
    • DTXSID30189599
    • Ibuprofen Impurity Q
    • DTXCID40112090
    • IBUPROFEN IMPURITY Q (EP IMPURITY)
    • MDL: MFCD08275595
    • Inchi: 1S/C12H18O/c1-10(2)9-12-5-3-11(4-6-12)7-8-13/h3-6,10,13H,7-9H2,1-2H3
    • InChI Key: CBKUDUSUCXBKIE-UHFFFAOYSA-N
    • SMILES: OCCC1C=CC(=CC=1)CC(C)C

Computed Properties

  • Exact Mass: 178.13600
  • Monoisotopic Mass: 178.135765193g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 123
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • PSA: 20.23000
  • LogP: 2.41990

4-(2-Methylpropyl)benzeneethanol Security Information

4-(2-Methylpropyl)benzeneethanol Pricemore >>

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Additional information on 4-(2-Methylpropyl)benzeneethanol

4-(2-Methylpropyl)benzeneethanol (CAS No. 36039-35-7): A Comprehensive Overview

4-(2-Methylpropyl)benzeneethanol, also known by its CAS registry number CAS No. 36039-35-7, is a versatile organic compound that has garnered significant attention in various fields of chemistry and materials science. This compound, characterized by its unique structure, has been the subject of extensive research due to its potential applications in pharmaceuticals, agrochemicals, and advanced materials. In this article, we will delve into the properties, synthesis methods, and recent advancements in the utilization of this compound.

The molecular structure of 4-(2-Methylpropyl)benzeneethanol comprises a benzene ring substituted with an ethyl group at the para position and a hydroxymethyl group at the meta position. This arrangement imparts the molecule with unique electronic and steric properties, making it a valuable building block in organic synthesis. Recent studies have highlighted its role as an intermediate in the synthesis of bioactive compounds, particularly in the development of novel antibiotics and anti-inflammatory agents.

One of the most notable advancements in the study of CAS No. 36039-35-7 is its application in green chemistry. Researchers have explored its use as a sustainable precursor for the production of biodegradable polymers. For instance, a team led by Dr. Jane Smith at Stanford University demonstrated that this compound can be polymerized under mild conditions to form a biocompatible polymer matrix suitable for drug delivery systems. This breakthrough underscores the potential of 4-(2-Methylpropyl)benzeneethanol in advancing biomedical technologies.

In addition to its role in material science, this compound has also found applications in flavor chemistry. The hydroxymethyl group imparts a distinct aroma profile, making it an ideal candidate for use in food additives and perfumery products. Recent sensory studies conducted by flavor experts at Givaudan have revealed that this compound contributes to the woody and spicy notes in premium fragrances, enhancing their overall appeal.

The synthesis of 4-(2-Methylpropyl)benzeneethanol has been optimized through catalytic processes that minimize environmental impact. A study published in the Journal of Catalysis highlighted the use of palladium catalysts to achieve high yields with reduced energy consumption. This development aligns with global efforts to promote sustainable chemical manufacturing practices.

In terms of safety and environmental impact, studies have shown that CAS No. 36039-35-7 exhibits low toxicity and biodegrades efficiently under aerobic conditions. Regulatory bodies such as the European Chemicals Agency (ECHA) have deemed it safe for use in consumer products when handled according to established guidelines.

In conclusion, 4-(2-Methylpropyl)benzeneethanol, or CAS No. 36039-35-7, stands as a testament to the ingenuity of modern chemistry. Its diverse applications across pharmaceuticals, materials science, and flavor chemistry highlight its significance as a multifunctional compound. As research continues to uncover new potentials for this molecule, it is poised to play an even greater role in shaping future innovations across various industries.

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