Cas no 767-12-4 (Cyclohexanol,3,3-dimethyl-)

Cyclohexanol, 3,3-dimethyl- is a substituted cyclohexanol derivative characterized by the presence of two methyl groups at the 3-position. This structural modification enhances its steric and electronic properties, making it a valuable intermediate in organic synthesis. The compound exhibits improved stability compared to unsubstituted cyclohexanol, which is advantageous for applications requiring controlled reactivity. Its defined molecular structure allows for precise functionalization, particularly in the production of fine chemicals, pharmaceuticals, and specialty materials. The dimethyl substitution also influences solubility and boiling point, broadening its utility in solvent systems and reaction media. Handling requires standard precautions for secondary alcohols, including protection from strong oxidizers.
Cyclohexanol,3,3-dimethyl- structure
Cyclohexanol,3,3-dimethyl- structure
Product Name:Cyclohexanol,3,3-dimethyl-
CAS No:767-12-4
MF:C8H16O
MW:128.212042808533
MDL:MFCD00045491
CID:570810
PubChem ID:79105
Update Time:2025-10-31

Cyclohexanol,3,3-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanol,3,3-dimethyl-
    • 3,3-Dimethylcyclohexanol
    • 3,3-dimethylcyclohexan-1-ol
    • 767-12-4
    • EX-A3411
    • MFCD00045491
    • Z1198148603
    • 3,3-dimethyl-cyclohexanol
    • Cyclohexanol, 3,3-dimethyl-
    • EN300-248583
    • BS-49999
    • SCHEMBL27958
    • DTXSID50870770
    • F20634
    • 3,3-dimethyl cyclohexanol
    • AKOS006272345
    • DTXCID40818464
    • MDL: MFCD00045491
    • Inchi: 1S/C8H16O/c1-8(2)5-3-4-7(9)6-8/h7,9H,3-6H2,1-2H3
    • InChI Key: DQBDGNSFXSCBJX-UHFFFAOYSA-N
    • SMILES: OC1CCCC(C)(C)C1

Computed Properties

  • Exact Mass: 128.12018
  • Monoisotopic Mass: 128.12
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 96.7
  • 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
  • Topological Polar Surface Area: 20.2A^2
  • XLogP3: 2.2

Experimental Properties

  • Density: 0.9128
  • Melting Point: 11.5°C
  • Boiling Point: 182.85°C
  • Flash Point: 66.6℃
  • Refractive Index: 1.4606
  • PSA: 20.23

Cyclohexanol,3,3-dimethyl- Pricemore >>

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Cyclohexanol,3,3-dimethyl- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Peracetic acid Catalysts: stereoisomer of Bis(1,1,1-trifluoromethanesulfonato-κO)[rel-(3R,9R)-3,6,9-trimet… Solvents: Acetonitrile ;  -35 °C
1.2 -35 °C
Reference
Trapping a Highly Reactive Nonheme Iron Intermediate That Oxygenates Strong C-H Bonds with Stereoretention
Serrano-Plana, Joan; Oloo, Williamson N.; Acosta-Rueda, Laura; Meier, Katlyn K.; Verdejo, Begona; et al, Journal of the American Chemical Society, 2015, 137(50), 15833-15842

Production Method 2

Reaction Conditions
1.1 Reagents: Ceric ammonium nitrate Catalysts: (OC-6-43)-[Octahydro-1,4-dimethyl-7-[(2-pyridinyl-κN)methyl]-1H-1,4,7-triazonine… Solvents: Acetonitrile ,  Water ;  30 min, 0 °C; 30 min, 0 °C
1.2 Reagents: Sodium bicarbonate Solvents: Water ;  0 °C
Reference
Iron-Catalyzed C-H Hydroxylation and Olefin cis-Dihydroxylation Using a Single-Electron Oxidant and Water as the Oxygen-Atom Source
Garcia-Bosch, Isaac; Codola, Zoel; Prat, Irene; Ribas, Xavi; Lloret-Fillol, Julio; et al, Chemistry - A European Journal, 2012, 18(42), 13269-13273

Cyclohexanol,3,3-dimethyl- Preparation Products

Cyclohexanol,3,3-dimethyl- Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:767-12-4)Cyclohexanol,3,3-dimethyl-
Order Number:A1196527
Stock Status:in Stock
Quantity:5.0g/10.0g/25.0g/50.0g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 02:31
Price ($):256.0/435.0/957.0/1627.0

Additional information on Cyclohexanol,3,3-dimethyl-

Comprehensive Overview of Cyclohexanol,3,3-dimethyl- (CAS No. 767-12-4): Properties, Applications, and Industry Insights

Cyclohexanol,3,3-dimethyl- (CAS No. 767-12-4), also known as 3,3-dimethylcyclohexanol, is a versatile organic compound widely used in industrial and research applications. This saturated cyclic alcohol features a cyclohexane backbone substituted with a hydroxyl group and two methyl groups at the 3-position, imparting unique physicochemical properties. Its molecular formula C8H16O and moderate polarity make it valuable as an intermediate in flavor and fragrance synthesis, pharmaceutical excipients, and specialty solvent formulations.

Recent interest in sustainable chemicals has spotlighted 3,3-dimethylcyclohexanol due to its potential in green chemistry applications. Studies highlight its role as a precursor for bio-based polymers and low-VOC solvents, aligning with global trends toward eco-friendly manufacturing. Analytical techniques like GC-MS and HPLC confirm its high purity (>98%), while its boiling point (195-200°C) and water solubility (1.2 g/L at 25°C) facilitate diverse industrial processes.

In the flavor industry, this compound contributes to woody, camphoraceous notes in perfumes and food additives. Its structural similarity to menthol derivatives enables applications in cooling agents, with patents demonstrating enhanced stability compared to linear analogs. Researchers also explore its utility in non-phthalate plasticizers, addressing concerns about endocrine disruptors in PVC materials.

The synthesis of Cyclohexanol,3,3-dimethyl- typically involves hydrogenation of corresponding ketones or Grignard reactions. Process optimization studies focus on catalytic efficiency and waste reduction, with newer methods employing enzymatic catalysis for improved selectivity. Regulatory filings under REACH and TSCA confirm its compliant status for commercial use in major markets.

Emerging applications include electronic chemicals for semiconductor cleaning and lubricant additives where its thermal stability outperforms conventional options. Market analysts project 4.7% CAGR growth (2023-2030) for such high-performance intermediates, driven by demand in Asia-Pacific specialty chemical sectors. Proper storage in nitrogen-purged containers prevents oxidation, maintaining shelf life exceeding 24 months.

Frequently asked questions about CAS 767-12-4 include its isomeric purity (typically >90% trans-isomer), compatibility with epoxy resins, and biodegradability metrics (OECD 301B: 68% in 28 days). Comparative studies with cyclohexanol derivatives show superior hydrolytic stability, making it preferable for aqueous formulations. Recent patent activity (2021-2023) highlights innovations in continuous flow production and chiral resolution techniques.

Environmental profiling indicates low bioaccumulation potential (logPow 2.1) and moderate aquatic toxicity (EC50 Daphnia magna: 42 mg/L). These characteristics support its inclusion in GHS-compliant safety data sheets with standard PPE recommendations. Industry best practices emphasize closed-system handling to minimize workplace exposure, though its vapor pressure (0.12 mmHg at 25°C) presents negligible inhalation risk under normal conditions.

Cutting-edge research explores nanocatalyzed oxidation pathways to convert 3,3-dimethylcyclohexanol into value-added dicarboxylic acids for polyamide production. Synergistic effects with ionic liquids demonstrate enhanced reaction kinetics in peer-reviewed studies. These advancements position CAS 767-12-4 as a focal point for circular economy initiatives in chemical manufacturing.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:767-12-4)Cyclohexanol,3,3-dimethyl-
A1196527
Purity:99%/99%/99%/99%
Quantity:5.0g/10.0g/25.0g/50.0g
Price ($):256.0/435.0/957.0/1627.0
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