Cas no 70120-12-6 (3-(1,1-Dimethylheptyl)phenol)

3-(1,1-Dimethylheptyl)phenol is a synthetic phenolic compound characterized by its branched alkyl substituent, which enhances its lipophilicity and stability. This structural feature makes it useful in applications requiring hydrophobic interactions, such as specialty polymer synthesis, surfactant formulations, or as an intermediate in organic synthesis. The tert-alkyl group at the 3-position contributes to steric hindrance, potentially improving oxidative resistance compared to simpler phenols. Its tailored molecular structure allows for precise reactivity in controlled chemical processes. The compound may also serve as a building block for more complex derivatives in pharmaceutical or material science research, where specific steric and electronic properties are required.
3-(1,1-Dimethylheptyl)phenol structure
3-(1,1-Dimethylheptyl)phenol structure
Product Name:3-(1,1-Dimethylheptyl)phenol
CAS No:70120-12-6
MF:C15H24O
MW:220.350464820862
CID:547684
PubChem ID:12788186
Update Time:2025-06-13

3-(1,1-Dimethylheptyl)phenol Chemical and Physical Properties

Names and Identifiers

    • Phenol, 3-(1,1-dimethylheptyl)-
    • 3-(1,1-Dimethylheptyl)phenol
    • 3-(2-methyloctan-2-yl)phenol
    • 2-(3-hydroxyphenyl)-2-methyloctane
    • 3-(1,1-dimethylheptyl)-phenol
    • Phenol,3-(1,1-dimethylheptyl)
    • KAQDSPLBLFEXRU-UHFFFAOYSA-N
    • AKOS030240538
    • DTXSID10509872
    • SCHEMBL4881841
    • 70120-12-6
    • starbld0024053
    • Inchi: 1S/C15H24O/c1-4-5-6-7-11-15(2,3)13-9-8-10-14(16)12-13/h8-10,12,16H,4-7,11H2,1-3H3
    • InChI Key: KAQDSPLBLFEXRU-UHFFFAOYSA-N
    • SMILES: OC1=CC=CC(=C1)C(C)(C)CCCCCC

Computed Properties

  • Exact Mass: 220.18300
  • Monoisotopic Mass: 220.182715385g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 186
  • 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: 5.9
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • PSA: 20.23000
  • LogP: 4.64020

3-(1,1-Dimethylheptyl)phenol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
D473190-100mg
3-(1,1-Dimethylheptyl)phenol
70120-12-6
100mg
$ 190.00 2023-04-14
TRC
D473190-1g
3-(1,1-Dimethylheptyl)phenol
70120-12-6
1g
$ 1487.00 2023-04-14

3-(1,1-Dimethylheptyl)phenol Production Method

Additional information on 3-(1,1-Dimethylheptyl)phenol

Comprehensive Analysis of 3-(1,1-Dimethylheptyl)phenol (CAS No. 70120-12-6): Properties, Applications, and Industry Trends

3-(1,1-Dimethylheptyl)phenol (CAS No. 70120-12-6) is a synthetic phenolic compound with a unique branched alkyl chain structure. This chemical has garnered significant attention in recent years due to its versatile applications in material science, specialty chemicals, and research fields. The dimethylheptyl moiety in its structure contributes to enhanced lipophilicity, making it valuable for formulations requiring controlled solubility profiles.

In the context of current industry trends, researchers are increasingly exploring phenolic derivatives like 3-(1,1-Dimethylheptyl)phenol for sustainable material development. With growing interest in bio-based alternatives, this compound's structural adaptability allows for modifications that align with green chemistry principles. Laboratories frequently search for "phenol derivatives with branched chains" or "CAS 70120-12-6 solubility data," reflecting the compound's relevance in formulation chemistry.

The physicochemical properties of 70120-12-6 make it particularly interesting for polymer applications. Its phenolic hydroxyl group enables participation in condensation reactions, while the bulky dimethylheptyl group provides steric hindrance that can influence reaction kinetics. Recent patent literature reveals innovative uses in heat-resistant resins, where questions like "how to improve thermal stability with phenolic additives" frequently appear in technical forums.

From an analytical chemistry perspective, 3-(1,1-Dimethylheptyl)phenol presents specific challenges and opportunities in chromatographic separation. The compound's hydrophobic character (logP ~5.2) necessitates specialized HPLC methods, explaining why search queries such as "HPLC method for CAS 70120-12-6" are common in analytical chemistry circles. Advanced mass spectrometry studies have elucidated its fragmentation patterns, supporting quality control in industrial applications.

In material science, the compound's bulky alkylphenol structure contributes to plasticization effects without compromising mechanical strength. This dual functionality addresses frequent industry inquiries about "non-phthalate plasticizer alternatives." Recent studies demonstrate its efficacy in polycarbonate blends, where it helps balance transparency and impact resistance—a hot topic in packaging innovation discussions.

The safety profile of 3-(1,1-Dimethylheptyl)phenol has been systematically evaluated through OECD guideline tests. While not classified as hazardous under major regulatory frameworks, proper handling protocols remain essential, as with all synthetic phenolic compounds. Environmental fate studies show moderate biodegradability, prompting research into "advanced oxidation processes for phenol removal"—a trending subject in environmental chemistry.

Market intelligence indicates growing demand for high-purity 70120-12-6, particularly in electronics applications. The compound's dielectric properties make it valuable for epoxy formulations used in printed circuit boards, correlating with increased searches for "phenolic compounds for electronic encapsulation." Manufacturers are developing ultra-pure grades (>99.8%) to meet stringent industry standards.

Future research directions for 3-(1,1-Dimethylheptyl)phenol include exploration in supramolecular chemistry, where its sterically hindered phenol structure could facilitate novel host-guest interactions. Academic interest is reflected in rising searches for "phenol-based molecular recognition systems." Additionally, computational chemistry studies are modeling its antioxidant potential, addressing another frequent query: "structure-activity relationships of alkylphenols."

For quality assurance purposes, modern analytical techniques like 2D NMR and high-resolution mass spectrometry have become essential in characterizing CAS 70120-12-6. These methods resolve challenges posed by its isomeric impurities—a technical concern often raised in quality control forums. Standardized FTIR libraries now include reference spectra for this compound, facilitating faster identification in industrial settings.

In conclusion, 3-(1,1-Dimethylheptyl)phenol represents a compelling case study in specialty chemical innovation. Its balanced properties address multiple industry needs while presenting opportunities for further development. As sustainable chemistry advances, this alkylphenol derivative will likely see expanded applications, particularly in areas requiring tailored solubility and reactivity profiles.

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