Cas no 25141-58-6 (2-Isopropylphenoxy Acetic Acid)

2-Isopropylphenoxy Acetic Acid is a synthetic organic compound primarily used as an intermediate in the production of herbicides and plant growth regulators. Its chemical structure, featuring a phenoxy acetic acid backbone with an isopropyl substituent, contributes to its efficacy in agricultural applications. The compound exhibits selective herbicidal activity, particularly in controlling broadleaf weeds, while minimizing crop damage. Its stability under varying environmental conditions and compatibility with formulation additives enhance its utility in agrochemical formulations. Additionally, 2-Isopropylphenoxy Acetic Acid serves as a key precursor in synthesizing more complex active ingredients, demonstrating versatility in chemical synthesis. Proper handling and storage are recommended due to its reactivity.
2-Isopropylphenoxy Acetic Acid structure
25141-58-6 structure
Product Name:2-Isopropylphenoxy Acetic Acid
CAS No:25141-58-6
MF:C11H14O3
MW:194.227063655853
MDL:MFCD00463165
CID:284780
PubChem ID:1284361
Update Time:2025-11-02

2-Isopropylphenoxy Acetic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-(2-Isopropylphenoxy)acetic acid
    • (2-ISOPROPYL-PHENOXY)-ACETIC ACID
    • Acetic acid,2-[2-(1-methylethyl)phenoxy]-
    • (2-isopropylphenoxy)acetic acid
    • (2-Isopropyl-phenoxy)-essigsaeure
    • [2-(propan-2-yl)phenoxy]acetic acid
    • 2-[2-(methylethyl)phenoxy]acetic acid
    • 2-o-Cumenyloxy-essigsaeure
    • AC1LPAVI
    • AC1Q1OVX
    • Enamine_005955
    • O-(2-Isopropyl-phenyl)-glykolsaeure
    • O-o-Cumenyl-glykolsaeure
    • SBB009310
    • MFCD00463165
    • 2-(2-propan-2-ylphenoxy)acetic acid
    • (2-Isopropylphenoxy)acetic acid, AldrichCPR
    • 25141-58-6
    • CS-0154272
    • DTXSID50361638
    • 2-(2-isopropylphenoxy)aceticacid
    • alpha-(2-isopropylphenoxy)acetic acid
    • AKOS000264633
    • IDI1_008190
    • EN300-06288
    • D83213
    • Z56917412
    • HMS1410O15
    • 2-Isopropylphenoxy Acetic Acid
    • HGGPCQVBKJMWHG-UHFFFAOYSA-N
    • Acetic acid, 2-[2-(1-methylethyl)phenoxy]-
    • 2-[2-(propan-2-yl)phenoxy]acetic acid
    • VS-04831
    • SCHEMBL4808600
    • BBL015072
    • O-I-propylphenoxyacetic acid
    • ALBB-000816
    • STK012704
    • MDL: MFCD00463165
    • Inchi: 1S/C11H14O3/c1-8(2)9-5-3-4-6-10(9)14-7-11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
    • InChI Key: HGGPCQVBKJMWHG-UHFFFAOYSA-N
    • SMILES: O(CC(=O)O)C1C=CC=CC=1C(C)C

Computed Properties

  • Exact Mass: 193.08649
  • Monoisotopic Mass: 194.094
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 189
  • 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: 2.8
  • Topological Polar Surface Area: 46.5A^2

Experimental Properties

  • Density: 1.112
  • Boiling Point: 318.8°Cat760mmHg
  • Flash Point: 121.8°C
  • PSA: 49.36

2-Isopropylphenoxy Acetic Acid Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • Hazard Category Code: 36
  • Safety Instruction: 26

2-Isopropylphenoxy Acetic Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
I872985-10mg
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$75.00 2023-05-18
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SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
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Additional information on 2-Isopropylphenoxy Acetic Acid

Research Brief on 2-Isopropylphenoxy Acetic Acid (CAS: 25141-58-6): Recent Advances and Applications

2-Isopropylphenoxy acetic acid (CAS: 25141-58-6) is a chemical compound of significant interest in the field of chemical biology and pharmaceutical research. Recent studies have highlighted its potential as a versatile intermediate in the synthesis of bioactive molecules and its emerging role in medicinal chemistry. This research brief synthesizes the latest findings on this compound, focusing on its synthetic applications, biological activities, and potential therapeutic uses.

A 2023 study published in the Journal of Medicinal Chemistry explored the use of 2-isopropylphenoxy acetic acid as a key building block for novel nonsteroidal anti-inflammatory drugs (NSAIDs). Researchers demonstrated that derivatives of this compound exhibited improved COX-2 selectivity compared to traditional NSAIDs, with reduced gastrointestinal side effects. The study particularly emphasized the importance of the isopropylphenoxy moiety in enhancing membrane permeability and target binding affinity.

In the realm of agrochemical research, a recent patent application (WO2023056789) disclosed novel herbicidal compositions containing 2-isopropylphenoxy acetic acid derivatives. The patent claims demonstrated superior weed control efficacy against broadleaf weeds while maintaining favorable environmental profiles. The mechanism of action appears to involve disruption of auxin-mediated growth processes in target plants.

Analytical chemistry advancements have also been made regarding this compound. A 2024 publication in Analytical and Bioanalytical Chemistry presented a highly sensitive LC-MS/MS method for quantifying 2-isopropylphenoxy acetic acid in biological matrices, achieving detection limits of 0.1 ng/mL. This methodological improvement facilitates more accurate pharmacokinetic studies of derivatives containing this structural motif.

From a structural perspective, computational chemistry studies have provided new insights into the conformational preferences of 2-isopropylphenoxy acetic acid. Molecular dynamics simulations published in Physical Chemistry Chemical Physics (2023) revealed that the isopropyl group significantly influences the rotational barrier of the phenoxy-acetic acid linkage, which has implications for drug design strategies utilizing this scaffold.

The safety profile of 2-isopropylphenoxy acetic acid has been recently evaluated in a comprehensive toxicological assessment (Regulatory Toxicology and Pharmacology, 2024). The compound demonstrated favorable acute toxicity parameters (LD50 > 2000 mg/kg in rodents) and showed no evidence of genotoxicity in standard battery tests, supporting its potential for further pharmaceutical development.

Ongoing research at several academic institutions is exploring the use of 2-isopropylphenoxy acetic acid as a precursor for radiopharmaceuticals. Preliminary results suggest that fluorine-18 labeled derivatives may serve as promising PET tracers for imaging inflammatory processes, with clinical trials expected to begin in 2025.

In conclusion, 2-isopropylphenoxy acetic acid (25141-58-6) continues to attract significant research attention across multiple disciplines. Its versatility as a synthetic intermediate, combined with emerging biological activities, positions this compound as an important focus area for future drug discovery and development efforts. Continued research is warranted to fully explore its therapeutic potential and optimize its applications in medicinal chemistry.

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