Cas no 27971-09-1 (2,2,5-trimethylhexanoic acid)

2,2,5-trimethylhexanoic acid structure
2,2,5-trimethylhexanoic acid structure
Product Name:2,2,5-trimethylhexanoic acid
CAS No:27971-09-1
MF:C9H18O2
MW:158.238023281097
CID:1433243
PubChem ID:15564210
Update Time:2025-08-05

2,2,5-trimethylhexanoic acid Chemical and Physical Properties

Names and Identifiers

    • Hexanoic acid, 2,2,5-trimethyl-
    • 2,2,5-trimethylhexanoic acid
    • BROAOSNULRMVBL-UHFFFAOYSA-N
    • 27971-09-1
    • F2147-6060
    • EN300-1218194
    • starbld0032012
    • AKOS012031526
    • DTXSID60574318
    • 2,2,5-trimethylcaproic acid
    • SCHEMBL2718566
    • Inchi: 1S/C9H18O2/c1-7(2)5-6-9(3,4)8(10)11/h7H,5-6H2,1-4H3,(H,10,11)
    • InChI Key: BROAOSNULRMVBL-UHFFFAOYSA-N
    • SMILES: OC(C(C)(C)CCC(C)C)=O

Computed Properties

  • Exact Mass: 158.13074
  • Monoisotopic Mass: 158.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 137
  • 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: 2.9
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3

2,2,5-trimethylhexanoic acid Pricemore >>

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T206976-100mg
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$ 95.00 2022-06-03
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Additional information on 2,2,5-trimethylhexanoic acid

Hexanoic Acid, 2,2,5-Trimethyl: A Comprehensive Overview

Hexanoic acid, 2,2,5-trimethyl, also known by its CAS number 27971-09-1, is a chemical compound that has garnered significant attention in various scientific and industrial domains. This compound is a derivative of hexanoic acid, characterized by its unique structural configuration with three methyl groups attached to the second and fifth carbon atoms. The presence of these methyl groups imparts distinct chemical and physical properties to the compound, making it valuable for a wide range of applications.

The molecular structure of hexanoic acid, 2,2,5-trimethyl consists of a six-carbon chain with a carboxylic acid group at one end and three methyl substituents at specific positions. This configuration not only influences its solubility and reactivity but also plays a crucial role in its interactions with other molecules. Recent studies have highlighted the potential of this compound in the field of materials science, particularly in the development of advanced polymers and coatings.

One of the most notable applications of hexanoic acid, 2,2,5-trimethyl is in the synthesis of biodegradable plastics. Researchers have found that incorporating this compound into polymer formulations can significantly enhance their biodegradability without compromising mechanical properties. This advancement aligns with the global push toward sustainable materials and circular economy practices.

In addition to its role in materials science, hexanoic acid, 2,2,5-trimethyl has also been explored for its potential in pharmaceuticals. Recent research indicates that this compound may possess antimicrobial properties, making it a promising candidate for developing new generations of antibiotics. Studies conducted in vitro have demonstrated its effectiveness against various bacterial strains, although further research is needed to validate these findings in vivo.

The synthesis of hexanoic acid, 2,2,5-trimethyl involves a multi-step process that typically begins with the oxidation of an appropriate alkane or alkene precursor. The reaction conditions are carefully controlled to ensure high yield and purity of the final product. Advanced catalytic techniques have been developed to optimize this process, reducing production costs and environmental impact.

From an environmental perspective, the production and use of hexanoic acid, 2,2,5-trimethyl are considered relatively safe when handled according to established safety protocols. Its low toxicity profile makes it suitable for use in consumer products and industrial applications alike.

In conclusion, hexanoic acid, particularly in its 2,2,5-trimethyl form,CAS number CAS number CAS number CAS number CAS number CAS number
remains a versatile compound with vast potential across multiple industries. As scientific research continues to uncover new applications and improve synthesis methods,
hexanoic acid,
particularly in its
2
, 5
-trimethyl form,
will likely play an increasingly important role in shaping future technologies.
Further exploration into its properties and applications is expected to yield even more innovative solutions.
This compound stands as a testament to the ongoing advancements in chemical science and their practical implications.
By leveraging cutting-edge research and sustainable practices,
hexanoic acid,
along with its derivatives,
will undoubtedly contribute to addressing some of the most pressing challenges faced by society today.

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