Cas no 5715-23-1 (3,4-dimethylcyclohexan-1-ol)

3,4-dimethylcyclohexan-1-ol structure
3,4-dimethylcyclohexan-1-ol structure
Product Name:3,4-dimethylcyclohexan-1-ol
CAS No:5715-23-1
MF:C8H16O
MW:128.212042808533
MDL:MFCD00001506
CID:377486
PubChem ID:97960
Update Time:2025-11-02

3,4-dimethylcyclohexan-1-ol Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanol,3,4-dimethyl-
    • 3,4-Dimethylcyclohexanol (mixture of isomers)
    • 3,4-dimethylcyclohexan-1-ol
    • 3,4-Dimethylcyclohexanol
    • Cyclohexanol,3,4-dimethyl
    • 3,4-Dimethylcyclohexyl alcohol
    • NSC 62034
    • A869746
    • BS-23017
    • NSC62034
    • Z1201617040
    • 5715-23-1
    • 4,4-DICHLORO-3,3-DINITROBENZOPHENONE
    • NS00046141
    • F20428
    • Cyclohexanol, 3,4-dimethyl-; 3,4-Dimethylcyclohexan-1-ol
    • Cyclohexanol, 3,4-dimethyl-
    • NSC-62034
    • D0703
    • CS-0206609
    • BCP30897
    • EINECS 227-211-2
    • DTXSID70871143
    • SCHEMBL2163356
    • SB84211
    • MFCD00001506
    • AKOS006228765
    • HEXAHYDRO-O-4-XYLENOL
    • EN300-83956
    • Q27160852
    • CHEBI:88852
    • FT-0614378
    • 3,4Dimethylcyclohexan1ol
    • MDL: MFCD00001506
    • Inchi: 1S/C8H16O/c1-6-3-4-8(9)5-7(6)2/h6-9H,3-5H2,1-2H3
    • InChI Key: ZBAXJUPCYVIBSP-UHFFFAOYSA-N
    • SMILES: OC1CCC(C)C(C)C1

Computed Properties

  • Exact Mass: 128.12000
  • Monoisotopic Mass: 128.120115
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 90.6
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2
  • Topological Polar Surface Area: 20.2

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.9249 g/cm3 (20 oC)
  • Melting Point: -1 oC
  • Boiling Point: 189°C(lit.)
  • Flash Point: 78.3±0.0 oC,
  • Refractive Index: 1.47121 (12.5 oC)
  • Solubility: Slightly soluble (9.2 g/l) (25 o C),
  • PSA: 20.23000
  • LogP: 1.80340
  • Solubility: Not determined
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

3,4-dimethylcyclohexan-1-ol Security Information

3,4-dimethylcyclohexan-1-ol Customs Data

  • HS CODE:2906120090
  • Customs Data:

    China Customs Code:

    2906120090

    Overview:

    2906120090. Cyclohexanol,Dimethyl cyclohexanol. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. Minimum tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2906120090. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%

3,4-dimethylcyclohexan-1-ol Pricemore >>

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Additional information on 3,4-dimethylcyclohexan-1-ol

Recent Advances in the Study of 3,4-Dimethylcyclohexan-1-ol (CAS: 5715-23-1) in Chemical Biology and Pharmaceutical Research

The compound 3,4-dimethylcyclohexan-1-ol (CAS: 5715-23-1) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its unique structural properties and potential therapeutic applications. This research brief aims to synthesize the latest findings related to this compound, focusing on its synthesis, biological activity, and potential industrial applications. The information presented herein is derived from peer-reviewed academic literature, industry reports, and technical documents published within the last two years.

Recent studies have highlighted the role of 3,4-dimethylcyclohexan-1-ol as a versatile intermediate in the synthesis of complex organic molecules. Its cyclohexane backbone, substituted with methyl groups at the 3 and 4 positions, provides a rigid yet flexible framework that can be functionalized for various applications. Researchers have explored its use in the development of novel chiral ligands for asymmetric catalysis, as well as its potential as a building block for pharmaceuticals targeting neurological disorders. The compound's stereochemistry has been a particular focus, with investigations into how different enantiomers exhibit distinct biological activities.

In the realm of pharmaceutical research, 3,4-dimethylcyclohexan-1-ol has shown promise as a precursor for the synthesis of bioactive molecules. A 2023 study published in the Journal of Medicinal Chemistry demonstrated its utility in creating analogs of known GABA receptor modulators, with several derivatives exhibiting enhanced binding affinity and selectivity. The research team employed computational modeling and X-ray crystallography to elucidate the structure-activity relationships, providing valuable insights for future drug design efforts.

From a synthetic chemistry perspective, advancements have been made in the efficient production of 3,4-dimethylcyclohexan-1-ol. A novel catalytic hydrogenation method developed by researchers at ETH Zurich has improved the yield and enantiomeric purity of the compound, addressing previous challenges in large-scale production. This breakthrough, published in Angewandte Chemie, utilizes a chiral ruthenium catalyst system that achieves up to 98% enantiomeric excess, making it particularly valuable for pharmaceutical applications where stereochemical purity is crucial.

The compound's physicochemical properties have also been the subject of recent investigations. Studies examining its solubility profile, partition coefficients, and stability under various conditions have provided essential data for formulation scientists. These characteristics make 3,4-dimethylcyclohexan-1-ol particularly interesting for drug delivery applications, where its amphiphilic nature could be exploited to improve the bioavailability of poorly soluble active pharmaceutical ingredients.

Looking forward, researchers anticipate that 3,4-dimethylcyclohexan-1-ol will play an increasingly important role in the development of new therapeutic agents and specialty chemicals. Its structural features make it a valuable scaffold for medicinal chemistry, while its synthetic accessibility positions it as an attractive intermediate for industrial applications. Ongoing research is exploring its potential in areas ranging from antimicrobial agents to materials science, suggesting that the full scope of its applications has yet to be realized.

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