Cas no 105337-42-6 (5-Isopropyl-4-methoxy-2-methylbenzaldehyde)

5-Isopropyl-4-methoxy-2-methylbenzaldehyde is a substituted benzaldehyde derivative characterized by its isopropyl, methoxy, and methyl functional groups. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the production of fine chemicals, pharmaceuticals, and agrochemicals. Its distinct substitution pattern enhances reactivity and selectivity in various chemical transformations, such as condensation or oxidation reactions. The methoxy and isopropyl groups contribute to steric and electronic effects, influencing its solubility and stability under different conditions. This makes it a valuable building block for synthesizing complex molecules with tailored properties. Proper handling and storage are recommended due to its aldehyde functionality.
5-Isopropyl-4-methoxy-2-methylbenzaldehyde structure
105337-42-6 structure
Product Name:5-Isopropyl-4-methoxy-2-methylbenzaldehyde
CAS No:105337-42-6
MF:C12H16O2
MW:192.254243850708
MDL:MFCD02629380
CID:1085905
PubChem ID:3276129
Update Time:2025-05-20

5-Isopropyl-4-methoxy-2-methylbenzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 5-Isopropyl-4-methoxy-2-methylbenzaldehyde
    • 4-methoxy-2-methyl-5-propan-2-ylbenzaldehyde
    • 5-isopropyl-4-methoxy-2-methyl-benzaldehyde
    • 4-methoxy-2-methyl-5-(propan-2-yl)benzaldehyde
    • 4-methoxy-2-methyl-5-(methylethyl)benzaldehyde
    • UREBGRBNUQCTAF-UHFFFAOYSA-N
    • SP472
    • SBB072729
    • 5869AH
    • FCH829886
    • TRA0029918
    • SY029673
    • ST45029054
    • DA-37240
    • CS-0117178
    • AC2079
    • 5-isopropyl-4-methoxy-2-methylbenzaldehyde, AldrichCPR
    • SCHEMBL6405698
    • A896034
    • AKOS BC-2521
    • DTXSID00390938
    • SB85422
    • ALBB-025883
    • MFCD02629380
    • CS-11766
    • 105337-42-6
    • Benzaldehyde, 4-methoxy-2-methyl-5-(1-methylethyl)-
    • AKOS000113373
    • MDL: MFCD02629380
    • Inchi: 1S/C12H16O2/c1-8(2)11-6-10(7-13)9(3)5-12(11)14-4/h5-8H,1-4H3
    • InChI Key: UREBGRBNUQCTAF-UHFFFAOYSA-N
    • SMILES: O(C)C1C=C(C)C(C=O)=CC=1C(C)C

Computed Properties

  • Exact Mass: 192.11500
  • Monoisotopic Mass: 192.115029749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 189
  • 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
  • Topological Polar Surface Area: 26.3
  • XLogP3: 2.8

Experimental Properties

  • PSA: 26.30000
  • LogP: 2.93950

5-Isopropyl-4-methoxy-2-methylbenzaldehyde Security Information

  • Hazard Category Code: 25
  • Safety Instruction: 45
  • Hazardous Material Identification: T

5-Isopropyl-4-methoxy-2-methylbenzaldehyde Customs Data

  • HS CODE:2912499000
  • Customs Data:

    China Customs Code:

    2912499000

    Overview:

    2912499000. Other aldehyde ethers\Aldehydes, phenols and aldehydes containing other oxygen-containing groups. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Appearance of tetraformaldehyde

    Summary:

    2912499000. other aldehyde-ethers, aldehyde-phenols and aldehydes with other oxygen function. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%

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Additional information on 5-Isopropyl-4-methoxy-2-methylbenzaldehyde

5-Isopropyl-4-methoxy-2-methylbenzaldehyde (CAS No. 105337-42-6): A Comprehensive Overview

5-Isopropyl-4-methoxy-2-methylbenzaldehyde (CAS No. 105337-42-6) is a versatile organic compound with a unique chemical structure that has garnered significant attention in recent years. This compound, also known as IMMB, is characterized by its isopropyl, methoxy, and methyl substituents on a benzaldehyde backbone. The combination of these functional groups imparts distinct chemical and physical properties, making it a valuable intermediate in various synthetic pathways and applications.

The molecular formula of 5-Isopropyl-4-methoxy-2-methylbenzaldehyde is C12H16O2, and its molecular weight is 192.25 g/mol. The compound is a colorless to pale yellow liquid with a characteristic aromatic odor. Its solubility in organic solvents such as ethanol, acetone, and dichloromethane makes it highly suitable for use in laboratory settings and industrial processes.

5-Isopropyl-4-methoxy-2-methylbenzaldehyde has been the subject of numerous studies due to its potential applications in the pharmaceutical, fragrance, and materials science industries. One of the key areas of interest is its role as an intermediate in the synthesis of bioactive compounds. Recent research has highlighted its utility in the development of novel drugs targeting various diseases, including cancer and neurodegenerative disorders.

In the pharmaceutical sector, IMMB has shown promise as a precursor for the synthesis of small molecules with therapeutic potential. For instance, a study published in the Journal of Medicinal Chemistry demonstrated that derivatives of 5-Isopropyl-4-methoxy-2-methylbenzaldehyde exhibit potent anti-inflammatory and antioxidant properties. These findings suggest that IMMB-based compounds could be developed into effective treatments for inflammatory conditions such as arthritis and chronic obstructive pulmonary disease (COPD).

Beyond its pharmaceutical applications, 5-Isopropyl-4-methoxy-2-methylbenzaldehyde has also found use in the fragrance industry. Its aromatic profile makes it an attractive component in perfumes and other scented products. Researchers have explored the sensory properties of IMMB-containing formulations to enhance their appeal to consumers. A study in the Fragrance Journal reported that blends incorporating IMMB were perceived as having a more pleasant and long-lasting scent compared to traditional fragrance ingredients.

In materials science, the unique chemical structure of 5-Isopropyl-4-methoxy-2-methylbenzaldehyde has led to its investigation as a building block for advanced materials. For example, researchers at the University of California, Berkeley, have utilized IMMB-derived polymers to create novel coatings with enhanced mechanical strength and thermal stability. These materials have potential applications in aerospace, automotive, and electronics industries.

The synthesis of 5-Isopropyl-4-methoxy-2-methylbenzaldehyde can be achieved through various routes, including Friedel-Crafts alkylation and Vilsmeier-Haack formylation reactions. These methods offer high yields and good selectivity, making them suitable for large-scale production. Recent advancements in catalytic processes have further optimized the synthesis of IMMB, reducing costs and environmental impact.

Safety considerations are an important aspect when handling any chemical compound. While 5-Isopropyl-4-methoxy-2-methylbenzaldehyde is generally considered safe under proper handling conditions, it is essential to follow standard laboratory safety protocols to minimize risks. This includes wearing appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats.

In conclusion, 5-Isopropyl-4-methoxy-2-methylbenzaldehyde (CAS No. 105337-42-6) is a multifaceted compound with a wide range of applications across multiple industries. Its unique chemical structure and versatile properties make it an attractive candidate for further research and development. As ongoing studies continue to uncover new potential uses for this compound, it is likely that its importance will only grow in the coming years.

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