Cas no 614-71-1 (1-ethoxy-2-methylbenzene)

1-Ethoxy-2-methylbenzene (CAS 93-16-3) is an aromatic ether compound characterized by its ethoxy and methyl substituents on a benzene ring. This clear, colorless to pale yellow liquid exhibits moderate volatility and a distinctive aromatic odor. It serves as a versatile intermediate in organic synthesis, particularly in the production of fragrances, pharmaceuticals, and specialty chemicals. Its ether linkage and alkyl substitution enhance solubility in organic solvents, making it useful in formulations requiring controlled reactivity. The compound's stability under standard conditions and well-defined chemical properties ensure consistent performance in synthetic applications. Handling requires standard precautions for flammable liquids, with storage recommendations in cool, well-ventilated areas.
1-ethoxy-2-methylbenzene structure
1-ethoxy-2-methylbenzene structure
Product Name:1-ethoxy-2-methylbenzene
CAS No:614-71-1
MF:C9H12O
MW:136.190982818604
CID:954550
PubChem ID:136414
Update Time:2025-05-21

1-ethoxy-2-methylbenzene Chemical and Physical Properties

Names and Identifiers

    • benzene, 1-ethoxy-2-methyl-
    • 1-ethoxy-2-methylbenzene
    • o-Ethoxytoluene
    • 1-Ethoxy-2-methyl-benzene
    • 2-ethoxytoluene
    • 2-Methyl-phenetol
    • 2-Methylphenetole
    • Aethyl-o-tolyl-aether
    • Benzene,1-ethoxy-2-methyl
    • o-Kresol-aethylaether
    • ortho-ethoxytoluene
    • Phenetole,o-methyl
    • A833243
    • 614-71-1
    • BDBM50409747
    • ethoxytoluene
    • SCHEMBL254578
    • ORTHO-METHYLPHENETOLE
    • Ethyl o-tolyl ether
    • DTXSID80210327
    • CHEMBL145657
    • Q63409201
    • o-Methylphenetole
    • Phenetole, o-methyl-
    • F8883-7586
    • AKOS005142974
    • MDL: MFCD00130073
    • Inchi: 1S/C9H12O/c1-3-10-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
    • InChI Key: JWMKUKRBNODZFA-UHFFFAOYSA-N
    • SMILES: CCOC1C(C)=CC=CC=1

Computed Properties

  • Exact Mass: 136.08900
  • Monoisotopic Mass: 136.089
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 90.7
  • 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: 9.2A^2

Experimental Properties

  • Density: 0.9592
  • Boiling Point: 184°C (estimate)
  • Flash Point: 64.2°C
  • Refractive Index: 1.5080
  • PSA: 9.23000
  • LogP: 2.39370

1-ethoxy-2-methylbenzene Pricemore >>

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Additional information on 1-ethoxy-2-methylbenzene

1-Ethoxy-2-Methylbenzene: A Comprehensive Overview

1-Ethoxy-2-methylbenzene, also known by its CAS number CAS No. 614-71-1, is a versatile organic compound with a wide range of applications in various industries. This compound, which belongs to the family of aromatic ethers, has garnered significant attention in recent years due to its unique chemical properties and potential uses in advanced materials, pharmaceuticals, and industrial processes. In this article, we will delve into the structural characteristics, synthesis methods, applications, and the latest research findings related to 1-ethoxy-2-methylbenzene.

The molecular structure of 1-ethoxy-2-methylbenzene consists of a benzene ring substituted with an ethoxy group (-OCH?CH?) at position 1 and a methyl group (-CH?) at position 2. This substitution pattern imparts the compound with distinct electronic and steric properties, making it suitable for various chemical reactions. The compound's molecular formula is C?H??O, and its molecular weight is approximately 136.2 g/mol. The physical properties of 1-ethoxy-2-methylbenzene include a boiling point of around 155°C and a melting point of -45°C, which are critical considerations for its storage and handling.

Recent studies have focused on the synthesis of 1-ethoxy-2-methylbenzene using environmentally friendly methods. Traditional synthesis involves the Friedel-Crafts alkylation reaction, where an ethyl group is introduced onto a methyl-substituted benzene ring in the presence of a Lewis acid catalyst. However, researchers have explored greener alternatives, such as microwave-assisted synthesis and catalytic systems that minimize waste and energy consumption. These advancements not only enhance the efficiency of production but also align with global sustainability goals.

The chemical reactivity of 1-ethoxy-2-methylbenzene is influenced by the electron-donating nature of the ethoxy group and the methyl group. These substituents activate the benzene ring towards electrophilic substitution reactions, making it a valuable intermediate in organic synthesis. For instance, it can undergo nitration, sulfonation, or further alkylation to produce derivatives with tailored functionalities. Recent research has highlighted its potential as a precursor for synthesizing advanced polymers and high-performance materials.

In terms of applications, 1-ethoxy-2-methylbenzene finds utility in several industries. In the pharmaceutical sector, it serves as an intermediate in the synthesis of bioactive compounds targeting various therapeutic areas. Its ability to form stable ether linkages makes it valuable in drug design where structural rigidity is desired. Additionally, in the field of materials science, this compound is being explored for its role in creating novel polymer networks with improved mechanical and thermal properties.

The environmental impact of 1-ethoxy-2-methylbenzene has also been a subject of recent investigations. Studies have shown that under certain conditions, it can degrade through hydrolysis or microbial action, reducing its persistence in the environment. This knowledge is crucial for assessing its safety profile and ensuring responsible use in industrial processes.

In conclusion, 1-ethoxy-2-methylbenzene, with its unique chemical properties and diverse applications, continues to be an area of active research. As advancements in synthetic methodologies and material science progress, this compound holds promise for contributing to innovative solutions across multiple disciplines. Its role as a key intermediate in drug discovery and materials development underscores its importance in contemporary chemistry.

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