Cas no 87074-74-6 (Phenol,3,5-dimethyl-4-(1-methylethyl)-)

Phenol,3,5-dimethyl-4-(1-methylethyl)- is a substituted phenolic compound characterized by its isopropyl and methyl functional groups at the 4- and 3,5-positions, respectively. This structural configuration enhances its steric hindrance and oxidative stability, making it useful in applications requiring controlled reactivity. The compound exhibits moderate solubility in organic solvents and demonstrates potential as an intermediate in specialty chemical synthesis, including antioxidants and polymer stabilizers. Its substituted aromatic ring contributes to thermal stability, while the isopropyl group may influence its compatibility with hydrophobic matrices. Careful handling is advised due to typical phenolic properties, including potential irritancy. Further functionalization can tailor its reactivity for targeted industrial applications.
Phenol,3,5-dimethyl-4-(1-methylethyl)- structure
87074-74-6 structure
Product Name:Phenol,3,5-dimethyl-4-(1-methylethyl)-
CAS No:87074-74-6
MF:C11H16O
MW:164.244143486023
CID:708702
PubChem ID:13096087
Update Time:2025-05-23

Phenol,3,5-dimethyl-4-(1-methylethyl)- Chemical and Physical Properties

Names and Identifiers

    • Phenol,3,5-dimethyl-4-(1-methylethyl)-
    • Phenol, 3,5-dimethyl-4-(1-methylethyl)- (9CI)
    • 87074-74-6
    • SCHEMBL5379461
    • 3,5-Dimethyl-4-isopropylphenol
    • 3,5-dimethyl-4-(propan-2-yl)phenol
    • 3,5-dimethyl-4-propan-2-ylphenol
    • EN300-7909356
    • Z1513825150
    • Inchi: 1S/C11H16O/c1-7(2)11-8(3)5-10(12)6-9(11)4/h5-7,12H,1-4H3
    • InChI Key: HTJQXVJRONQICG-UHFFFAOYSA-N
    • SMILES: OC1C=C(C)C(=C(C)C=1)C(C)C

Computed Properties

  • Exact Mass: 164.120115130g/mol
  • Monoisotopic Mass: 164.120115130g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 130
  • 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: 3.4
  • Topological Polar Surface Area: 20.2?2

Phenol,3,5-dimethyl-4-(1-methylethyl)- Pricemore >>

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Phenol,3,5-dimethyl-4-(1-methylethyl)- Related Literature

Additional information on Phenol,3,5-dimethyl-4-(1-methylethyl)-

Phenol, 3,5-Dimethyl-4-(1-Methylethyl)- (CAS No. 87074-74-6)

Phenol, 3,5-Dimethyl-4-(1-Methylethyl)- (commonly referred to as 3,5-dimethyl-4-isopropylphenol) is a substituted phenol compound with the CAS registry number 87074-74-6. This compound belongs to the broader class of aromatic alcohols and exhibits unique chemical properties due to its substituted phenolic structure. The molecule consists of a phenol ring with three substituents: two methyl groups at the 3 and 5 positions and an isopropyl group at the 4 position. This specific substitution pattern imparts distinct physical and chemical characteristics, making it a subject of interest in various scientific and industrial applications.

Recent advancements in synthetic chemistry have enabled the efficient synthesis of 3,5-dimethyl-4-isopropylphenol through both traditional and modern methodologies. One notable approach involves the Friedel-Crafts alkylation reaction, where the phenol ring undergoes selective alkylation using appropriate alkyl halides in the presence of a Lewis acid catalyst. This method has been optimized to achieve high yields and selectivity, ensuring the production of pure 3,5-dimethyl-4-isopropylphenol for subsequent applications.

The structure of 3,5-dimethyl-4-isopropylphenol plays a crucial role in its chemical reactivity. The hydroxyl group (-OH) on the phenol ring is highly nucleophilic and can participate in various nucleophilic substitution reactions. Additionally, the steric hindrance introduced by the isopropyl group at the 4 position influences the regioselectivity of reactions involving this compound. Recent studies have explored the use of 3,5-dimethyl-4-isopropylphenol as a precursor in the synthesis of biologically active molecules, such as antioxidants and anti-inflammatory agents.

In terms of physical properties, 3,5-dimethyl-4-isopropylphenol is typically a white crystalline solid with a melting point around 120°C and a boiling point above 200°C under standard conditions. Its solubility in organic solvents such as dichloromethane and ethyl acetate makes it suitable for various organic reactions. The compound also exhibits moderate lipophilicity due to its alkyl substituents, which enhances its ability to partition into lipid-rich environments—a property that is particularly advantageous in pharmaceutical applications.

One of the most promising applications of 3,5-dimethyl-4-isopropylphenol lies in its use as an intermediate in drug discovery. Researchers have investigated its potential as a building block for constructing complex molecular frameworks with therapeutic potential. For instance, derivatives of this compound have been studied for their ability to inhibit enzymes involved in inflammatory pathways, suggesting its role in developing novel anti-inflammatory drugs.

Moreover, recent studies have highlighted the environmental fate and toxicity of 3,5-dimethyl-4-isopropylphenol, providing valuable insights into its safety profile. Experimental data indicate that this compound undergoes biodegradation under aerobic conditions, with microbial communities playing a significant role in its transformation into less harmful byproducts. These findings are crucial for assessing its environmental impact and ensuring safe handling practices during industrial processes.

In conclusion, Phenol, 3,5-Dimethyl-4-(1-Methylethyl)- (CAS No. 87074-74-6) is a versatile compound with a wide range of applications across multiple disciplines. Its unique chemical structure enables it to serve as an essential intermediate in organic synthesis while exhibiting potential biological activity that warrants further investigation. As research continues to uncover new properties and applications of this compound, it is poised to play an increasingly important role in both academic and industrial settings.

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