Cas no 106797-69-7 (Benzenepropanol,3-phenoxy-)

Benzenepropanol,3-phenoxy- is a phenolic alcohol derivative with applications in organic synthesis and specialty chemical formulations. Its structure, featuring a phenoxy group attached to a propanol chain, provides versatility as an intermediate in the production of fragrances, pharmaceuticals, and agrochemicals. The compound exhibits moderate polarity, facilitating solubility in both organic solvents and certain aqueous systems, which enhances its utility in reaction media. Its stability under standard conditions and well-defined reactivity profile make it a reliable precursor for etherification, esterification, and other functional group transformations. The product is typically supplied in high purity, ensuring consistent performance in synthetic applications.
Benzenepropanol,3-phenoxy- structure
Benzenepropanol,3-phenoxy- structure
Product Name:Benzenepropanol,3-phenoxy-
CAS No:106797-69-7
MF:C15H16O2
MW:228.286344528198
MDL:MFCD09028720
CID:127312
PubChem ID:11775947
Update Time:2025-06-30

Benzenepropanol,3-phenoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzenepropanol,3-phenoxy-
    • 3-(3-PHENOXY-PHENYL)-PROPAN-1-OL
    • 3-(3-Phenoxyphenyl)-1-propanol
    • 3-(3-phenoxyphenyl)propan-l-ol
    • 3-(3-phenoxyphenyl)propanol
    • 3-Phenoxybenzenepropanol
    • ACMC-20mala
    • AG-D-21453
    • AGN-PC-00FX98
    • CTK4A4776
    • SureCN7774935
    • 3-Phenoxy-benzenepropanol
    • 3-(3-phenoxyphenyl)propan-1-ol(WXC06283)
    • CS-0036778
    • DTXSID90472358
    • 106797-69-7
    • 3-(3-phenoxyphenyl)propan-1-ol
    • MFCD09028720
    • W13437
    • KAZMRBRDDGQJGV-UHFFFAOYSA-N
    • AKOS022396630
    • AS-58858
    • SCHEMBL7774935
    • MDL: MFCD09028720
    • Inchi: 1S/C15H16O2/c16-11-5-7-13-6-4-10-15(12-13)17-14-8-2-1-3-9-14/h1-4,6,8-10,12,16H,5,7,11H2
    • InChI Key: KAZMRBRDDGQJGV-UHFFFAOYSA-N
    • SMILES: O(C1C=CC=CC=1)C1=CC=CC(=C1)CCCO

Computed Properties

  • Exact Mass: 228.11508
  • Monoisotopic Mass: 228.115029749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 199
  • 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: 3.3
  • Topological Polar Surface Area: 29.5?2

Experimental Properties

  • Density: 1.104
  • Boiling Point: 367.152°C at 760 mmHg
  • Flash Point: 161.733°C
  • Refractive Index: 1.576
  • PSA: 29.46
  • LogP: 3.40380

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Additional information on Benzenepropanol,3-phenoxy-

Benzenepropanol, 3-phenoxy - A Comprehensive Overview

Benzenepropanol, 3-phenoxy, also known by its CAS number 106797-69-7, is a chemical compound with a unique structure and versatile applications. This compound belongs to the class of phenols and is widely used in various industries due to its distinctive properties. The molecule consists of a benzene ring attached to a propanol group via an ether linkage, making it a derivative of phenol with enhanced functional group diversity.

The synthesis of Benzenepropanol, 3-phenoxy typically involves nucleophilic aromatic substitution or coupling reactions, depending on the specific starting materials and reaction conditions. Recent advancements in catalytic methods have improved the efficiency and selectivity of these reactions, making the production process more sustainable and cost-effective. Researchers have also explored the use of microwave-assisted synthesis to accelerate reaction times while maintaining product purity.

In terms of physical properties, Benzenepropanol, 3-phenoxy exhibits a melting point of approximately 45°C and a boiling point around 180°C under standard atmospheric pressure. Its solubility in organic solvents such as dichloromethane and ethyl acetate makes it suitable for various chemical processes. The compound is also known for its moderate hydrophilicity, which is attributed to the hydroxyl group present in its structure.

The applications of Benzenepropanol, 3-phenoxy span across multiple sectors. In the pharmaceutical industry, it serves as an intermediate in the synthesis of bioactive compounds with potential anti-inflammatory and antioxidant properties. Recent studies have highlighted its role in drug design, particularly in developing agents targeting neurodegenerative diseases. Its ability to form stable complexes with metal ions has also made it valuable in catalysis and materials science.

In the field of materials science, Benzenepropanol, 3-phenoxy has been utilized as a building block for constructing advanced polymers and self-healing materials. Its reactivity towards nucleophilic attack allows for easy functionalization, enabling the creation of cross-linked networks with improved mechanical properties. Researchers have also explored its use in stimuli-responsive materials that can adapt to environmental changes such as temperature or pH levels.

The environmental impact of Benzenepropanol, 3-phenoxy has been a topic of interest in recent years. Studies indicate that it undergoes biodegradation under aerobic conditions, with microbial communities playing a significant role in its breakdown. However, further research is needed to assess its long-term persistence in different ecosystems and potential toxicity to aquatic organisms.

In conclusion, Benzenepropanol, 3-phenoxy, with its unique chemical structure and diverse applications, continues to be a focal point in both academic research and industrial development. As new synthetic methods and application areas emerge, this compound is expected to play an even more pivotal role in advancing modern chemistry and materials science.

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