Cas no 4730-22-7 (6-Methyl-2-heptanol)

6-Methyl-2-heptanol (CAS 4730-22-7) is a branched-chain aliphatic alcohol with the molecular formula C8H18O. This secondary alcohol is characterized by its clear, colorless appearance and mild odor. It serves as a versatile intermediate in organic synthesis, particularly in the production of fragrances, plasticizers, and specialty chemicals. Its branched structure contributes to favorable solubility properties in organic solvents, enhancing its utility in formulation applications. The compound exhibits moderate reactivity, making it suitable for esterification and etherification reactions. With a defined boiling point and stability under standard conditions, 6-Methyl-2-heptanol is a reliable choice for laboratory and industrial processes requiring consistent performance.
6-Methyl-2-heptanol structure
6-Methyl-2-heptanol structure
Product Name:6-Methyl-2-heptanol
CAS No:4730-22-7
MF:C8H18O
MW:130.227922916412
MDL:MFCD00004562
CID:329346
PubChem ID:96476
Update Time:2025-06-30

6-Methyl-2-heptanol Chemical and Physical Properties

Names and Identifiers

    • 2-Heptanol, 6-methyl-
    • 2-METHYL-6-HEPTANOL
    • 6-Methyl-2-heptanol
    • 6-methylheptan-2-ol
    • ISO-HEXYL METHYL CARBINOL
    • SB45973
    • SCHEMBL196610
    • SB84226
    • NSC-75858
    • NSC75858
    • EINECS 225-232-1
    • AI3-25069
    • 4730-22-7
    • DTXSID60871096
    • M0791
    • AKOS009159280
    • FT-0627420
    • MFCD00004562
    • 6-methyl-heptan-2-ol
    • FCOUHTHQYOMLJT-UHFFFAOYSA-
    • 6-Methyl-2-heptanol, 99%
    • NSC 75858
    • EN300-1858214
    • D91384
    • 2-Methylheptan-6-ol
    • InChI=1/C8H18O/c1-7(2)5-4-6-8(3)9/h7-9H,4-6H2,1-3H3
    • NS00045570
    • (+/-)-6-Methyl-2-heptanol; 1,5-Dimethyl-1-hexanol; 2-Hydroxy-6-methylheptane; 2-Methylheptan-6-ol; NSC 75858
    • DB-242814
    • MDL: MFCD00004562
    • Inchi: 1S/C8H18O/c1-7(2)5-4-6-8(3)9/h7-9H,4-6H2,1-3H3
    • InChI Key: FCOUHTHQYOMLJT-UHFFFAOYSA-N
    • SMILES: OC(C)CCCC(C)C

Computed Properties

  • Exact Mass: 130.13600
  • Monoisotopic Mass: 130.135765
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 59.6
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 20.2

Experimental Properties

  • Color/Form: Uncertain
  • Density: 0.803?g/mL?at 25?°C(lit.)
  • Melting Point: -105°C
  • Boiling Point: 172°C(lit.)
  • Flash Point: Degrees Fahrenheit:152.6°F
    Degrees Celsius:67°C
  • Refractive Index: n20/D 1.424(lit.)
  • PSA: 20.23000
  • LogP: 2.19350
  • Solubility: Uncertain
  • Vapor Pressure: 0.3±0.7 mmHg at 25°C

6-Methyl-2-heptanol Security Information

6-Methyl-2-heptanol Pricemore >>

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6-Methyl-2-heptanol Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:4730-22-7)6-Methyl-2-heptanol
Order Number:A1205315
Stock Status:in Stock
Quantity:50g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 15:57
Price ($):284.0

6-Methyl-2-heptanol Related Literature

Additional information on 6-Methyl-2-heptanol

Chemical Profile of 6-Methyl-2-heptanol (CAS No. 4730-22-7)

6-Methyl-2-heptanol, with the chemical formula C8H18O, is an organic compound belonging to the alcohol class. This isomer, specifically the (R)-enantiomer, is of particular interest in the pharmaceutical and fine chemical industries due to its unique structural and functional properties. The compound is characterized by a branched chain structure, featuring a methyl group at the sixth carbon atom and a hydroxyl group at the second carbon atom, which contributes to its distinct reactivity and solubility characteristics.

The significance of 6-Methyl-2-heptanol in modern chemistry cannot be overstated. Its applications span across multiple domains, including pharmaceutical synthesis, flavor and fragrance production, and as an intermediate in the manufacturing of more complex organic molecules. The compound’s ability to act as a chiral building block makes it invaluable in the development of enantiomerically pure drugs, where the stereochemistry of a molecule can dramatically influence its biological activity.

In recent years, research into 6-Methyl-2-heptanol has been bolstered by advancements in synthetic methodologies that allow for more efficient and scalable production. One such development involves the use of biocatalysis, where enzymes are employed to selectively introduce functional groups with high precision. This approach not only improves yield but also reduces waste, aligning with the growing emphasis on sustainable chemistry practices. For instance, researchers have reported successful biocatalytic routes to 6-Methyl-2-heptanol that utilize engineered bacteria to produce the compound with minimal byproducts.

The pharmaceutical industry has shown particular interest in 6-Methyl-2-heptanol due to its role as a precursor in the synthesis of active pharmaceutical ingredients (APIs). A notable example is its use in the production of certain antipsychotic medications, where the branched alcohol structure serves as a key scaffold. Recent studies have highlighted its potential in developing novel therapeutics for neurological disorders, leveraging its ability to interact with specific biological targets. The compound’s lipophilic nature also makes it an excellent candidate for drug delivery systems, particularly those designed for transdermal administration.

From a chemical perspective, 6-Methyl-2-heptanol exhibits interesting physicochemical properties that make it useful in various applications. Its moderate boiling point and solubility in both water and organic solvents allow it to be incorporated into a wide range of formulations. Additionally, its chiral center provides opportunities for derivatization into other functional molecules with tailored properties. For example, researchers have explored its use in creating complex esters and amides that serve as intermediates in polymer chemistry.

The flavor and fragrance industry has also capitalized on the versatility of 6-Methyl-2-heptanol. Its aliphatic structure and hydroxyl group contribute to a pleasant odor profile, making it a popular component in perfumes and food additives. Recent innovations have focused on optimizing extraction and synthesis methods to ensure high purity and consistency, which are critical for consumer products where even minor impurities can affect sensory quality.

In terms of industrial production, 6-Methyl-2-heptanol is typically synthesized via fractional distillation or catalytic hydrogenation of more complex hydrocarbons. Advances in process engineering have enabled more efficient production runs, reducing energy consumption and improving cost-effectiveness. Some manufacturers have adopted green chemistry principles by incorporating renewable feedstocks or optimizing reaction conditions to minimize environmental impact.

The regulatory landscape surrounding 6-Methyl-2-heptanol is generally favorable for industrial use, provided that standard safety protocols are followed. As an alcohol derivative, it does not fall under strict regulations concerning hazardous substances but still requires proper handling due to its flammability and potential for skin irritation. Companies producing or using this compound must adhere to guidelines set forth by agencies such as the Environmental Protection Agency (EPA) and the European Chemicals Agency (ECHA) to ensure safe handling and disposal.

Future research directions for 6-Methyl-2-heptanol may focus on expanding its applications in drug discovery and materials science. The growing demand for enantiomerically pure compounds suggests that new synthetic routes will continue to be developed to meet market needs. Additionally, exploring its role in green chemistry initiatives could further enhance its industrial relevance by reducing reliance on traditional petrochemical feedstocks.

In conclusion,6-Methyl-2-heptanol (CAS No. 4730-22-7) is a multifaceted compound with significant utility across various industries. Its unique structural features enable diverse applications ranging from pharmaceuticals to fragrances and polymers. With ongoing advancements in synthetic chemistry and sustainable practices,6-Methyl-2-heptanol is poised to remain a valuable component in both academic research and industrial processes.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:4730-22-7)6-Methyl-2-heptanol
A1205315
Purity:99%
Quantity:50g
Price ($):284.0
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