Cas no 5392-57-4 (6-Methyl-1,6-heptanediol)

6-Methyl-1,6-heptanediol is a branched aliphatic diol with the molecular formula C8H18O2, featuring hydroxyl groups at the 1 and 6 positions of a heptane backbone substituted with a methyl group at the 6-position. This compound is valued for its balanced hydrophilicity and lipophilicity, making it useful as an intermediate in polymer synthesis, particularly for producing polyesters and polyurethanes with tailored flexibility and durability. Its branched structure contributes to enhanced solubility and lower crystallinity in derived materials. Additionally, it serves as a building block in specialty chemicals, offering controlled reactivity for applications in coatings, adhesives, and plasticizers. The diol's stability and bifunctionality support efficient crosslinking in resin formulations.
6-Methyl-1,6-heptanediol structure
6-Methyl-1,6-heptanediol structure
Product Name:6-Methyl-1,6-heptanediol
CAS No:5392-57-4
MF:C8H18O2
MW:146.227323055267
MDL:MFCD25977865
CID:2086340
PubChem ID:547731
Update Time:2025-05-20

6-Methyl-1,6-heptanediol Chemical and Physical Properties

Names and Identifiers

    • 6-Methyl-1,6-heptanediol
    • 6-Methylheptane-1,6-diol
    • XICLOMYOBVKLTR-UHFFFAOYSA-N
    • 6-Methyl-1,6-heptanediol #
    • 5392-57-4
    • starbld0001570
    • AT40652
    • DTXSID101312897
    • SCHEMBL5907144
    • MDL: MFCD25977865
    • Inchi: 1S/C8H18O2/c1-8(2,10)6-4-3-5-7-9/h9-10H,3-7H2,1-2H3
    • InChI Key: XICLOMYOBVKLTR-UHFFFAOYSA-N
    • SMILES: OC(C)(C)CCCCCO

Computed Properties

  • Exact Mass: 146.130679813Da
  • Monoisotopic Mass: 146.130679813Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 5
  • Complexity: 79.3
  • 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: 0.5
  • Topological Polar Surface Area: 40.5?2

6-Methyl-1,6-heptanediol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
M312120-50mg
6-Methyl-1,6-heptanediol
5392-57-4
50mg
$ 184.00 2023-09-07
TRC
M312120-250mg
6-Methyl-1,6-heptanediol
5392-57-4
250mg
$ 851.00 2023-09-07
TRC
M312120-500mg
6-Methyl-1,6-heptanediol
5392-57-4
500mg
$ 1466.00 2023-09-07
TRC
M312120-1g
6-Methyl-1,6-heptanediol
5392-57-4
1g
165.00 2021-08-03
TRC
M312120-10g
6-Methyl-1,6-heptanediol
5392-57-4
10g
1320.00 2021-08-03

6-Methyl-1,6-heptanediol Related Literature

Additional information on 6-Methyl-1,6-heptanediol

Introduction to 6-Methyl-1,6-heptanediol (CAS No. 5392-57-4)

6-Methyl-1,6-heptanediol, identified by the Chemical Abstracts Service Number (CAS No.) 5392-57-4, is a significant organic compound with a molecular structure that includes two hydroxyl groups and a methyl substituent. This compound has garnered attention in the chemical and pharmaceutical industries due to its unique properties and potential applications. The presence of two hydroxyl groups makes it a versatile intermediate, while the methyl group contributes to its reactivity and functionalization capabilities.

The molecular formula of 6-Methyl-1,6-heptanediol is C7H16O2, reflecting its composition of seven carbon atoms, sixteen hydrogen atoms, and two oxygen atoms. This structure allows for various chemical modifications, making it a valuable building block in synthetic chemistry. The compound's ability to participate in multiple reactions, such as esterification, oxidation, and reduction, underscores its importance in industrial and laboratory settings.

In recent years, 6-Methyl-1,6-heptanediol has been studied for its potential applications in pharmaceuticals, particularly as a precursor for more complex molecules. Its diol functionality makes it an attractive candidate for the synthesis of polyols, which are widely used in polymer chemistry and as intermediates in drug development. The compound's stability under various conditions further enhances its utility in these applications.

One of the most compelling aspects of 6-Methyl-1,6-heptanediol is its role in the development of bio-based chemicals. With increasing emphasis on sustainable practices, researchers have explored ways to incorporate this compound into green chemistry processes. For instance, it has been investigated as a potential monomer for biodegradable polymers, aligning with global efforts to reduce reliance on petroleum-derived materials.

The pharmacological potential of 6-Methyl-1,6-heptanediol has also been examined in detail. Studies have suggested that derivatives of this compound may exhibit properties useful in treating various conditions. While extensive clinical trials are still needed to fully understand its therapeutic efficacy, preliminary research indicates promising avenues for further investigation. The compound's ability to interact with biological systems at multiple levels makes it a subject of interest for medicinal chemists.

The synthesis of 6-Methyl-1,6-heptanediol is another area where advancements have been made. Modern synthetic routes have improved yield and purity, making it more accessible for industrial applications. These methods often involve catalytic processes that minimize waste and energy consumption, reflecting the growing importance of environmentally friendly production techniques.

In addition to its pharmaceutical and industrial uses, 6-Methyl-1,6-heptanediol has found applications in cosmetics and personal care products. Its moisturizing properties and compatibility with other ingredients make it a valuable component in skincare formulations. The compound's ability to enhance product stability and texture further solidifies its role in this sector.

The future prospects for 6-Methyl-1,6-heptanediol are bright, with ongoing research exploring new applications and refining existing ones. As the demand for sustainable and efficient chemical solutions grows, compounds like this one are likely to play an increasingly significant role in various industries. Continued innovation will undoubtedly uncover more ways to leverage the unique properties of CAS No. 5392-57-4.

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