Cas no 89794-52-5 (1-methylcyclohexane-1,4-diol)

1-Methylcyclohexane-1,4-diol is a cycloaliphatic diol featuring both primary and tertiary hydroxyl groups, offering unique reactivity in synthetic applications. Its rigid cyclohexane backbone enhances thermal and chemical stability, making it suitable for high-performance polymer formulations. The sterically hindered tertiary hydroxyl group allows selective functionalization, while the primary hydroxyl group provides versatility in polycondensation reactions. This compound is particularly valuable in producing specialty polyesters, polyurethanes, and epoxy resins, where it contributes to improved mechanical properties and hydrolytic resistance. Its balanced hydrophilicity and lipophilicity also make it useful in solvent systems and as an intermediate for fine chemicals.
1-methylcyclohexane-1,4-diol structure
1-methylcyclohexane-1,4-diol structure
Product Name:1-methylcyclohexane-1,4-diol
CAS No:89794-52-5
MF:C7H14O2
MW:130.184862613678
CID:2120724
PubChem ID:14449682
Update Time:2025-06-08

1-methylcyclohexane-1,4-diol Chemical and Physical Properties

Names and Identifiers

    • 1-methylcyclohexane-1,4-diol
    • AB86196
    • AS-52657
    • P19304
    • EN300-1699858
    • AKOS027338428
    • cis-1-Methyl-1,4-cyclohexanediol
    • Z1813153932
    • CS-0094764
    • PS-19598
    • 1,4-Cyclohexanediol, 1-methyl-, trans-
    • trans-1-Methylcyclohexane-1,4-diol
    • SCHEMBL16750985
    • SCHEMBL17954860
    • YXZQSMBYXJWRSP-UHFFFAOYSA-N
    • 124899-26-9
    • 124899-25-8
    • MFCD29060158
    • AT27845
    • 1,4-Cyclohexanediol, 1-methyl-
    • 1-Methyl-1,4-cyclohexanediol
    • SCHEMBL180095
    • UNII-9AKY4YF27R
    • 89794-52-5
    • (1s,4s)-1-methylcyclohexane-1,4-diol
    • CS-0058207
    • 1-Methyl-1,4-cyclohexanediol, trans-
    • (1r,4r)-1-methylcyclohexane-1,4-diol
    • AMY35189
    • P15459
    • MFCD28411527
    • 1,4-Cyclohexanediol, 1-methyl-, cis-
    • SCHEMBL16730136
    • 1-Methyl-1,4-cyclohexanediol, cis-
    • KMA7PV6VZ7
    • 9AKY4YF27R
    • UNII-VI9AMU5JAA
    • ZEA89925
    • VI9AMU5JAA
    • cis-1-methylcyclohexane-1,4-diol
    • CS-0096308
    • FT-0728070
    • UNII-KMA7PV6VZ7
    • DTXSID901347218
    • DA-01361
    • 821-697-5
    • Inchi: 1S/C7H14O2/c1-7(9)4-2-6(8)3-5-7/h6,8-9H,2-5H2,1H3
    • InChI Key: YXZQSMBYXJWRSP-UHFFFAOYSA-N
    • SMILES: OC1(C)CCC(CC1)O

Computed Properties

  • Exact Mass: 130.099379685g/mol
  • Monoisotopic Mass: 130.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 93.1
  • 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: 0.4
  • Topological Polar Surface Area: 40.5?2

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Additional information on 1-methylcyclohexane-1,4-diol

Chemical Profile of 1-methylcyclohexane-1,4-diol (CAS No. 89794-52-5)

1-methylcyclohexane-1,4-diol, identified by its Chemical Abstracts Service (CAS) number 89794-52-5, is a significant organic compound that has garnered attention in the field of pharmaceutical chemistry and materials science. This molecule, characterized by a cyclohexane ring substituted with a methyl group and hydroxyl groups at the 1 and 4 positions, exhibits unique structural and functional properties that make it a valuable intermediate in synthetic chemistry and a potential candidate for various applications.

The molecular structure of 1-methylcyclohexane-1,4-diol consists of a six-membered aromatic-like ring with one methyl group attached at the 1-position and two hydroxyl groups positioned at the 1 and 4 positions. This arrangement imparts distinct stereochemical features, including the presence of two chiral centers, which can lead to the formation of enantiomers or diastereomers. Such stereoisomerism is crucial in pharmaceutical applications, where the biological activity of a drug can be highly dependent on its specific stereochemical configuration.

In recent years, 1-methylcyclohexane-1,4-diol has been explored as a building block in the synthesis of more complex molecules. Its hydroxyl functional groups make it an excellent candidate for further derivatization, allowing chemists to introduce additional substituents or modify its existing functionality. This versatility has made it a subject of interest in the development of new drugs, agrochemicals, and specialty chemicals.

One of the most compelling aspects of 1-methylcyclohexane-1,4-diol is its potential role in medicinal chemistry. Researchers have been investigating its derivatives as intermediates for synthesizing novel therapeutic agents. For instance, modifications to the hydroxyl groups can lead to the formation of esters or ethers, which can then be further functionalized to produce bioactive molecules. These efforts have been particularly focused on identifying compounds with anti-inflammatory, analgesic, or antimicrobial properties.

Recent studies have highlighted the utility of 1-methylcyclohexane-1,4-diol in the development of chiral ligands for asymmetric catalysis. Chiral catalysts are essential in organic synthesis for producing enantiomerically pure compounds, which are often required for pharmaceutical applications. The ability to efficiently synthesize enantiomerically enriched forms of 1-methylcyclohexane-1,4-diol and its derivatives could significantly impact the pharmaceutical industry by enabling the production of high-purity active pharmaceutical ingredients (APIs).

The chemical reactivity of 1-methylcyclohexane-1,4-diol also makes it a valuable material in polymer science. Its structural features allow it to act as a monomer or co-monomer in the synthesis of polymers with specific properties. For example, polymers derived from this compound could exhibit enhanced flexibility or thermal stability, making them suitable for use in high-performance materials or coatings.

In addition to its synthetic applications, 1-methylcyclohexane-1,4-diol has been studied for its potential biological activities. Preliminary research suggests that certain derivatives of this compound may exhibit inhibitory effects on various biological targets. These findings have prompted further investigation into its pharmacological profile, with the aim of identifying new therapeutic opportunities.

The synthesis of 1-methylcyclohexane-1,4-diol itself is an interesting challenge for organic chemists. While there are several reported methods for its preparation, optimizing these routes to achieve high yields and purity remains an area of active research. Advances in synthetic methodologies could make this compound more readily available for industrial applications.

The environmental impact of using 1-methylcyclohexane-1,4-diol as an intermediate also deserves consideration. Efforts are being made to develop greener synthetic routes that minimize waste and reduce energy consumption. Such sustainable practices are increasingly important in modern chemical manufacturing to ensure environmental responsibility.

In conclusion, 1-methylcyclohexane-1,4-diol (CAS No. 89794-52-5) is a versatile and promising compound with significant potential in pharmaceuticals, materials science, and catalysis. Its unique structural features and reactivity make it a valuable building block for synthesizing complex molecules with diverse applications. As research continues to uncover new uses for this compound, it is likely to remain an important player in the chemical industry for years to come.

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