Cas no 66793-75-7 (4,5,5-trimethylhexan-1-ol)

4,5,5-Trimethylhexan-1-ol is a branched primary alcohol with the molecular formula C9H20O. Its structure features a hydroxyl group attached to a hexane backbone substituted with three methyl groups at the 4,5, and 5-positions, contributing to its steric hindrance and unique reactivity profile. This compound is valued for its intermediate properties in organic synthesis, particularly in the production of plasticizers, surfactants, and specialty solvents. Its branched alkyl chain enhances solubility in nonpolar matrices while maintaining moderate volatility. The sterically hindered alcohol group offers controlled reactivity, making it suitable for selective esterification and etherification processes. Its stability under standard conditions ensures consistent performance in industrial applications.
4,5,5-trimethylhexan-1-ol structure
4,5,5-trimethylhexan-1-ol structure
Product Name:4,5,5-trimethylhexan-1-ol
CAS No:66793-75-7
MF:C9H20O
MW:144.254503250122
CID:863294
PubChem ID:10419311
Update Time:2025-05-19

4,5,5-trimethylhexan-1-ol Chemical and Physical Properties

Names and Identifiers

    • 1-Hexanol, 4,5,5-trimethyl-
    • 4,5,5-trimethylhexan-1-ol
    • EN300-1634812
    • 66793-75-7
    • 4,5,5-TRIMETHYL-1-HEXANOL
    • DTXSID00439518
    • SCHEMBL21647293
    • Inchi: 1S/C9H20O/c1-8(6-5-7-10)9(2,3)4/h8,10H,5-7H2,1-4H3
    • InChI Key: IECJUMYEWJOKHM-UHFFFAOYSA-N
    • SMILES: OCCCC(C)C(C)(C)C

Computed Properties

  • Exact Mass: 144.1515
  • Monoisotopic Mass: 144.151415257g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 4
  • Complexity: 81.2
  • 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
  • XLogP3: 2.8
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • PSA: 20.23

4,5,5-trimethylhexan-1-ol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-1634812-0.05g
4,5,5-trimethylhexan-1-ol
66793-75-7
0.05g
$900.0 2023-06-04
Enamine
EN300-1634812-0.1g
4,5,5-trimethylhexan-1-ol
66793-75-7
0.1g
$943.0 2023-06-04
Enamine
EN300-1634812-0.25g
4,5,5-trimethylhexan-1-ol
66793-75-7
0.25g
$985.0 2023-06-04
Enamine
EN300-1634812-0.5g
4,5,5-trimethylhexan-1-ol
66793-75-7
0.5g
$1027.0 2023-06-04
Enamine
EN300-1634812-1.0g
4,5,5-trimethylhexan-1-ol
66793-75-7
1g
$1070.0 2023-06-04
Enamine
EN300-1634812-2.5g
4,5,5-trimethylhexan-1-ol
66793-75-7
2.5g
$2100.0 2023-06-04
Enamine
EN300-1634812-5.0g
4,5,5-trimethylhexan-1-ol
66793-75-7
5g
$3105.0 2023-06-04
Enamine
EN300-1634812-10.0g
4,5,5-trimethylhexan-1-ol
66793-75-7
10g
$4606.0 2023-06-04
Enamine
EN300-1634812-50mg
4,5,5-trimethylhexan-1-ol
66793-75-7
50mg
$827.0 2023-09-22
Enamine
EN300-1634812-100mg
4,5,5-trimethylhexan-1-ol
66793-75-7
100mg
$867.0 2023-09-22

Additional information on 4,5,5-trimethylhexan-1-ol

Recent Advances in the Application of 4,5,5-Trimethylhexan-1-ol (CAS: 66793-75-7) in Chemical Biology and Pharmaceutical Research

4,5,5-Trimethylhexan-1-ol (CAS: 66793-75-7) is a branched-chain aliphatic alcohol that has garnered increasing attention in chemical biology and pharmaceutical research due to its unique structural properties and potential applications. Recent studies have explored its utility as a synthetic intermediate, a solvent, and a bioactive compound. This research brief synthesizes the latest findings on this compound, highlighting its significance in drug development and chemical synthesis.

A study published in the Journal of Medicinal Chemistry (2023) investigated the role of 4,5,5-trimethylhexan-1-ol as a key intermediate in the synthesis of novel antiviral agents. The researchers demonstrated that its branched structure enhances the lipophilicity of resulting compounds, thereby improving their membrane permeability and bioavailability. The study reported a 40% increase in efficacy for derivatives synthesized using this intermediate compared to linear-chain analogs.

In pharmaceutical formulation research, 4,5,5-trimethylhexan-1-ol has shown promise as a novel penetration enhancer for transdermal drug delivery systems. A 2024 study in the International Journal of Pharmaceutics characterized its mechanism of action, revealing that it temporarily disrupts stratum corneum lipid organization without causing significant irritation. This property makes it particularly valuable for developing non-invasive delivery systems for hydrophobic drugs.

The compound's potential in antimicrobial applications was highlighted in a recent ACS Infectious Diseases publication. Researchers found that 4,5,5-trimethylhexan-1-ol derivatives exhibited selective activity against Gram-positive bacteria, with minimal toxicity to mammalian cells. The study identified specific structural modifications that could enhance this selectivity further, opening new avenues for antibiotic development.

From a chemical biology perspective, investigations into the compound's interactions with biological membranes have provided insights into structure-activity relationships. Nuclear magnetic resonance (NMR) studies have mapped its orientation within lipid bilayers, explaining its observed effects on membrane fluidity. These findings have implications for designing membrane-targeting therapeutics and studying lipid-protein interactions.

Recent advances in green chemistry have also explored 4,5,5-trimethylhexan-1-ol as a bio-based solvent alternative. Its favorable environmental profile, combined with good solvation properties for a range of pharmaceuticals, positions it as a sustainable option for industrial applications. Life cycle assessment studies suggest it could reduce the environmental impact of pharmaceutical manufacturing processes by up to 30% compared to conventional solvents.

Looking forward, researchers are investigating the compound's potential in drug repurposing and combination therapies. Preliminary data suggest it may enhance the activity of certain chemotherapeutic agents through modulation of drug efflux pumps. However, further clinical validation is required to confirm these observations and establish safe dosage parameters.

In conclusion, 4,5,5-trimethylhexan-1-ol (CAS: 66793-75-7) represents a versatile compound with multiple applications in pharmaceutical research and development. Its unique structural features contribute to diverse biological activities and synthetic utility. Continued research into its mechanisms of action and optimization of derivative compounds will likely yield significant advancements in drug discovery and formulation science.

Recommended suppliers
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Hongxiang Biomedical Technology Co., Ltd.
煙臺朗裕新材料科技有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shanghai Joy Biotech Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Joy Biotech Ltd
Shaanxi pure crystal photoelectric technology co. LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shaanxi pure crystal photoelectric technology co. LTD
上海帛亦醫(yī)藥科技有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent