Cas no 161790-37-0 (2-2-(propan-2-yl)phenoxypropanoic Acid)

2-(2-(Propan-2-yl)phenoxy)propanoic acid is a versatile organic compound characterized by its phenoxypropanoic acid backbone with an isopropyl substituent on the aromatic ring. This structure imparts favorable physicochemical properties, including moderate solubility in organic solvents and stability under standard conditions. Its functional groups make it a useful intermediate in synthetic organic chemistry, particularly for the preparation of agrochemicals, pharmaceuticals, and specialty chemicals. The isopropyl group enhances lipophilicity, which can be advantageous in applications requiring controlled release or targeted delivery. The compound’s reactivity allows for further derivatization, enabling the synthesis of more complex molecules. Its well-defined structure ensures reproducibility in research and industrial processes.
2-2-(propan-2-yl)phenoxypropanoic Acid structure
161790-37-0 structure
Product Name:2-2-(propan-2-yl)phenoxypropanoic Acid
CAS No:161790-37-0
MF:C12H16O3
MW:208.253643989563
MDL:MFCD03422229
CID:1073942
PubChem ID:329818881
Update Time:2025-10-28

2-2-(propan-2-yl)phenoxypropanoic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-(2-Isopropylphenoxy)propanoic acid
    • 2-(2-propan-2-ylphenoxy)propanoic acid
    • 2-(2-isopropylphenoxy)propanoic acid(SALTDATA: FREE)
    • 2-(2-Isopropyl-phenoxy)-propionic acid
    • 2-[2-(methylethyl)phenoxy]propanoic acid
    • 2-[2-(propan-2-yl)phenoxy]propanoic acid
    • AC1MWNE8
    • CTK4D0957
    • ST064603
    • SureCN8935695
    • AKOS B013860
    • ART-CHEM-BB B013860
    • CHEMBRDG-BB 3013860
    • TIMTEC-BB SBB009318
    • DTXSID90396287
    • CS-0312890
    • 2-(2-Isopropylphenoxy)propanoic acid, AldrichCPR
    • MFCD03422229
    • SCHEMBL8935695
    • HMS1700D05
    • STK408775
    • Propanoic acid, 2-[2-(1-methylethyl)phenoxy]-
    • BBL007611
    • ALBB-000846
    • (2RS)-2-(2-isopropylphenoxy)propionic acid
    • 161790-37-0
    • VS-01691
    • AKOS016353291
    • AS-871/43323382
    • AKOS000130074
    • KJOWLMCSCDFVCH-UHFFFAOYSA-N
    • 2-2-(propan-2-yl)phenoxypropanoic Acid
    • MDL: MFCD03422229
    • Inchi: 1S/C12H16O3/c1-8(2)10-6-4-5-7-11(10)15-9(3)12(13)14/h4-9H,1-3H3,(H,13,14)
    • InChI Key: KJOWLMCSCDFVCH-UHFFFAOYSA-N
    • SMILES: O(C(C(=O)O)C)C1C=CC=CC=1C(C)C

Computed Properties

  • Exact Mass: 208.11000
  • Monoisotopic Mass: 208.11
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 213
  • 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: 3
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • Color/Form: Not available
  • Density: 1.1±0.1 g/cm3
  • Melting Point: Not available
  • Boiling Point: 326.6±25.0 °C at 760 mmHg
  • Flash Point: 121.4±16.7 °C
  • Refractive Index: 1.516
  • PSA: 46.53000
  • LogP: 2.66190
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

2-2-(propan-2-yl)phenoxypropanoic Acid Security Information

  • Signal Word:warning
  • Hazard Statement: H303+H313+H333
  • Warning Statement: P264+P280+P305+P351+P338+P337+P313
  • Hazardous Material transportation number:NONH for all modes of transport
  • Hazard Category Code: 22
  • Safety Instruction: H303+H313+H333
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT
  • Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

2-2-(propan-2-yl)phenoxypropanoic Acid Customs Data

  • HS CODE:2918990090
  • Customs Data:

    China Customs Code:

    2918990090

    Overview:

    2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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Additional information on 2-2-(propan-2-yl)phenoxypropanoic Acid

Comprehensive Guide to 2-2-(propan-2-yl)phenoxypropanoic Acid (CAS No. 161790-37-0): Properties, Applications, and Market Insights

2-2-(propan-2-yl)phenoxypropanoic Acid (CAS No. 161790-37-0) is a specialized organic compound with significant relevance in pharmaceutical and agrochemical research. This compound, often referred to as isopropylphenoxypropanoic acid, belongs to the class of phenoxy carboxylic acids, which are known for their versatile applications in drug development and crop protection. The unique structural features of this molecule, including its propan-2-yl substituent and propanoic acid moiety, contribute to its distinct chemical behavior and biological activity.

The growing interest in 2-2-(propan-2-yl)phenoxypropanoic Acid stems from its potential as a building block for more complex molecules. Researchers are particularly interested in its structure-activity relationship, which makes it valuable for designing new herbicides and pharmaceutical intermediates. Recent studies have explored its role in developing sustainable agrochemicals, aligning with the global trend toward eco-friendly crop protection solutions. The compound's moderate lipophilicity and hydrogen bonding capacity make it particularly interesting for formulation scientists working on enhanced delivery systems.

From a chemical perspective, 2-2-(propan-2-yl)phenoxypropanoic Acid exhibits several noteworthy characteristics. The compound typically appears as a white to off-white crystalline powder with specific solubility properties that influence its formulation possibilities. Its molecular weight and pKa value are critical parameters for researchers developing new synthetic routes or analytical methods. The presence of both aromatic and aliphatic components in its structure contributes to its unique reactivity pattern, making it a valuable intermediate in organic synthesis.

The pharmaceutical industry has shown increasing interest in 161790-37-0 as a potential precursor for non-steroidal anti-inflammatory drugs (NSAIDs) and other bioactive molecules. Its structural similarity to known pharmacophores has prompted investigations into its biological activity profile. Current research focuses on optimizing its synthetic accessibility while maintaining high purity standards required for pharmaceutical applications. The compound's metabolic stability and toxicity profile are also under evaluation as part of drug discovery programs.

In the agrochemical sector, 2-2-(propan-2-yl)phenoxypropanoic Acid has gained attention for its potential in developing next-generation herbicides. The compound's mechanism of action appears to involve plant growth regulation, with particular efficacy against broadleaf weeds. Manufacturers are exploring its use in combination formulations to enhance spectrum of activity while reducing environmental impact. The push for sustainable agriculture has accelerated research into derivatives of this compound that might offer improved selectivity and lower application rates.

The market dynamics for CAS 161790-37-0 reflect the growing demand for specialized fine chemicals. Suppliers are responding to increased requests for high-purity grades suitable for research and development purposes. Current price trends indicate steady growth, particularly for custom synthesis services involving this compound. The global supply chain for such specialized intermediates continues to evolve, with emphasis on reliable sourcing and consistent quality.

Analytical characterization of 2-2-(propan-2-yl)phenoxypropanoic Acid typically involves advanced techniques such as HPLC, GC-MS, and NMR spectroscopy. These methods are essential for verifying chemical identity and ensuring purity specifications are met. The development of robust analytical methods has become increasingly important as applications for this compound expand into regulated industries where quality control is paramount.

Environmental considerations surrounding 161790-37-0 have prompted studies into its biodegradation pathways and ecotoxicological profile. Researchers are particularly interested in understanding its environmental fate and potential for bioaccumulation. These studies are crucial for developing greener chemical processes and ensuring compliance with evolving environmental regulations in different regions.

Future prospects for 2-2-(propan-2-yl)phenoxypropanoic Acid appear promising, with several patent applications recently filed for novel derivatives and applications. The compound's versatility continues to attract interest from both academic researchers and industrial chemists. As synthetic methodologies advance and structure-activity relationships become better understood, we can anticipate expanded uses for this interesting molecule in various specialty chemical applications.

For researchers working with CAS 161790-37-0, proper handling procedures and storage conditions should always be followed to maintain compound integrity. While not classified as highly hazardous, standard laboratory safety practices should be observed when handling this material. The development of safe handling guidelines continues as more data becomes available about its physicochemical properties and stability characteristics under various conditions.

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