Cas no 1039948-89-4 (4-(2-Hydroxyethoxy)-3,5-dimethylbenzaldehyde)

4-(2-Hydroxyethoxy)-3,5-dimethylbenzaldehyde is a specialized aromatic aldehyde featuring a hydroxyethoxy substituent at the para position and methyl groups at the 3- and 5-positions. This compound is of interest in organic synthesis due to its dual functional groups, which enable further derivatization for applications in pharmaceuticals, agrochemicals, and advanced materials. The presence of the hydroxyethoxy moiety enhances solubility in polar solvents, while the aldehyde group offers reactivity for condensation or reduction reactions. Its well-defined structure and stability make it a valuable intermediate for constructing complex molecular frameworks. The compound is typically characterized by high purity and consistent performance in synthetic workflows.
4-(2-Hydroxyethoxy)-3,5-dimethylbenzaldehyde structure
1039948-89-4 structure
Product Name:4-(2-Hydroxyethoxy)-3,5-dimethylbenzaldehyde
CAS No:1039948-89-4
MF:C11H14O3
MW:194.227063655853
MDL:MFCD11188381
CID:1035725
PubChem ID:28932578
Update Time:2025-10-24

4-(2-Hydroxyethoxy)-3,5-dimethylbenzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 4-(2-Hydroxyethoxy)-3,5-dimethylbenzaldehyde
    • QC-214
    • AK118970
    • 4-(2-hydroxy ethoxy)-3,5-dimethyl benzaldehyde
    • PBIWVVONGPLSAJ-UHFFFAOYSA-N
    • 0935AA
    • TRA0008281
    • SY030002
    • AX8244386
    • ST24042858
    • 4-(2-hydroxyethoxy)-3,5-dimethyl benzaldehyde
    • 4-(2-hydroxyethoxy)-3,5-dimethyl-benzaldehyde
    • 4-(2-hydroxy-ethoxy)-3,5-dimethylbenzaldehyde
    • 4-(2-hydroxy-eth
    • MFCD11188381
    • AKOS009241167
    • SCHEMBL147201
    • 4-(2-hydroxy-ethoxy)-3,5-dimethyl-benzaldehyde
    • DB-348549
    • DTXSID80651812
    • AC-29477
    • CS-0153720
    • 3,5-dimethyl-4-(2-hydroxy-ethoxy)-benzaldehyde
    • DS-5442
    • Y10012
    • 1039948-89-4
    • 4-(2-Hydroxyethoxy)-3 pound not5-dimethylbenzaldehyde
    • MDL: MFCD11188381
    • Inchi: 1S/C11H14O3/c1-8-5-10(7-13)6-9(2)11(8)14-4-3-12/h5-7,12H,3-4H2,1-2H3
    • InChI Key: PBIWVVONGPLSAJ-UHFFFAOYSA-N
    • SMILES: O(CCO)C1C(C)=CC(C=O)=CC=1C

Computed Properties

  • Exact Mass: 194.09400
  • Monoisotopic Mass: 194.094294304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 169
  • 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: 46.5
  • XLogP3: 1.4

Experimental Properties

  • Density: 1.131±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 348.2±37.0℃/760mmHg
  • Solubility: Slightly soluble (1.2 g/l) (25 o C),
  • PSA: 46.53000
  • LogP: 1.48700

4-(2-Hydroxyethoxy)-3,5-dimethylbenzaldehyde 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%

4-(2-Hydroxyethoxy)-3,5-dimethylbenzaldehyde Pricemore >>

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4-(2-Hydroxyethoxy)-3,5-dimethylbenzaldehyde Production Method

Additional information on 4-(2-Hydroxyethoxy)-3,5-dimethylbenzaldehyde

Introduction to 4-(2-Hydroxyethoxy)-3,5-dimethylbenzaldehyde (CAS No. 1039948-89-4)

4-(2-Hydroxyethoxy)-3,5-dimethylbenzaldehyde (CAS No. 1039948-89-4) is a versatile organic compound that has garnered significant attention in recent years due to its unique chemical structure and potential applications in various fields, including pharmaceuticals, materials science, and chemical synthesis. This compound is characterized by its hydroxyethoxy group and dimethylbenzaldehyde core, which confer it with distinct physical and chemical properties.

The molecular formula of 4-(2-Hydroxyethoxy)-3,5-dimethylbenzaldehyde is C11H14O3, and its molecular weight is approximately 198.22 g/mol. The compound exists as a white to off-white crystalline solid at room temperature and is soluble in common organic solvents such as ethanol, methanol, and dichloromethane. Its melting point ranges from 60 to 65°C, making it suitable for a wide range of synthetic transformations and analytical techniques.

In the realm of pharmaceutical research, 4-(2-Hydroxyethoxy)-3,5-dimethylbenzaldehyde has shown promise as an intermediate in the synthesis of various bioactive molecules. Recent studies have highlighted its potential as a precursor for the development of novel anti-inflammatory agents and antioxidants. The presence of the hydroxyethoxy group provides the molecule with hydrophilic properties, enhancing its solubility and bioavailability when incorporated into drug formulations.

The dimethylbenzaldehyde core of the compound is known for its aromaticity and reactivity, which can be harnessed in a variety of synthetic pathways. For instance, the aldehyde functional group can undergo condensation reactions with amines to form imines or Schiff bases, which are valuable intermediates in the synthesis of complex organic molecules. Additionally, the hydroxyethoxy group can be derivatized through esterification or etherification reactions to introduce additional functional groups, further expanding the compound's utility in chemical synthesis.

In materials science, 4-(2-Hydroxyethoxy)-3,5-dimethylbenzaldehyde has been explored for its potential applications in the development of functional polymers and coatings. The combination of its aromatic structure and hydrophilic properties makes it an attractive candidate for use in polymerizable monomers that can be cross-linked to form robust and durable materials. Recent research has demonstrated that derivatives of this compound can be used to create coatings with enhanced adhesion properties and improved resistance to environmental degradation.

The synthetic accessibility of 4-(2-Hydroxyethoxy)-3,5-dimethylbenzaldehyde has also been a subject of interest in the chemical industry. Various synthetic routes have been developed to produce this compound on a larger scale, including methods involving Grignard reactions, aldol condensations, and metal-catalyzed coupling reactions. These synthetic strategies not only improve the yield and purity of the final product but also reduce the environmental impact associated with traditional synthesis methods.

In terms of safety and handling, 4-(2-Hydroxyethoxy)-3,5-dimethylbenzaldehyde should be stored in a cool, dry place away from strong oxidizing agents and sources of ignition. Proper personal protective equipment (PPE) should be used when handling this compound to minimize exposure risks. It is important to note that while this compound is not classified as a hazardous material under current regulations, it should still be handled with care to ensure safe laboratory practices.

The ongoing research into 4-(2-Hydroxyethoxy)-3,5-dimethylbenzaldehyde continues to uncover new applications and potential uses across multiple disciplines. Its unique combination of functional groups makes it a valuable building block for chemists working in diverse areas such as drug discovery, materials science, and chemical synthesis. As more studies are conducted and new derivatives are developed, the importance of this compound in advancing scientific knowledge is likely to grow even further.

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