Cas no 1208-64-6 (3-(4-tert-butylphenyl)propanoic acid)

3-(4-tert-Butylphenyl)propanoic acid is a versatile organic compound featuring a tert-butyl-substituted phenyl group attached to a propanoic acid moiety. This structure imparts unique steric and electronic properties, making it valuable as an intermediate in pharmaceutical and fine chemical synthesis. Its tert-butyl group enhances lipophilicity, which can be advantageous in modifying drug solubility or designing specialty polymers. The carboxylic acid functionality allows for further derivatization, including esterification or amidation, enabling tailored applications in material science and bioactive molecule development. The compound's stability under standard conditions ensures reliable handling and storage, supporting its use in research and industrial processes requiring precise structural control.
3-(4-tert-butylphenyl)propanoic acid structure
1208-64-6 structure
Product Name:3-(4-tert-butylphenyl)propanoic acid
CAS No:1208-64-6
MF:C13H18O2
MW:206.280824184418
MDL:MFCD00796482
CID:229152
PubChem ID:4962173
Update Time:2025-10-29

3-(4-tert-butylphenyl)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(4-(tert-Butyl)phenyl)propanoic acid
    • 3-(4-tert-Butylbenzene)propionic Acid
    • 3-(4-tert-Butylphenyl)propionic acid
    • 3-(4-tert-Butyl-phenyl)-propionic acid
    • 4-(1,1-dimethylethyl)Benzenepropanoic acid
    • Benzenepropanoic acid,4-(1,1-dimethylethyl)-
    • BOCNH-PEG5-CH2CH2NH2
    • 3-(4-tert-Butylphenyl)propanoic acid
    • 3-[4-(tert-butyl)phenyl]propanoic acid
    • BAS 14742592
    • 4-t-butylhydrocinnamic aicd
    • 4-t-butylhydrocinnamic acid
    • 4-tert-Butylhydrocinnamic acid
    • BNJYANVQFVSYEK-UHFFFAOYSA-N
    • 3-(4-t-butylphenyl)propionic acid
    • 3-(4-t-Butylphenyl)propanoic acid
    • STL477134
    • SCHEMBL846131
    • AKOS000206740
    • Y10267
    • 3-(4-(tert-Butyl)phenyl)propanoicacid
    • A804605
    • SR-01000068155
    • EN300-13004
    • MFCD00796482
    • DTXSID30407023
    • CS-W015310
    • 3-(4-TERT-BUTYL-PHENYL)-PROPIONICACID
    • 3-(4-tert-Butylphenyl)propanoic acid, AldrichCPR
    • 1208-64-6
    • Z89270856
    • 3-[4-(t-butyl)phenyl]propanoic acid
    • AMY3803
    • SR-01000068155-1
    • F6782-3541
    • BB 0216333
    • AS-55153
    • SY147727
    • FT-0654879
    • Benzenepropanoic acid, 4-(1,1-dimethylethyl)-
    • DB-061825
    • ALBB-029468
    • 3-(4-tert-butylphenyl)propanoic acid
    • MDL: MFCD00796482
    • Inchi: 1S/C13H18O2/c1-13(2,3)11-7-4-10(5-8-11)6-9-12(14)15/h4-5,7-8H,6,9H2,1-3H3,(H,14,15)
    • InChI Key: BNJYANVQFVSYEK-UHFFFAOYSA-N
    • SMILES: OC(CCC1C=CC(=CC=1)C(C)(C)C)=O

Computed Properties

  • Exact Mass: 206.13100
  • Monoisotopic Mass: 206.131
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 207
  • 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: 3.5
  • Topological Polar Surface Area: 37.3

Experimental Properties

  • Density: 1.031
  • Melting Point: 95°C
  • Boiling Point: 318.6°Cat760mmHg
  • Flash Point: 215.7°C
  • PSA: 37.30000
  • LogP: 3.00130

3-(4-tert-butylphenyl)propanoic acid Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • Hazard Category Code: 22
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

3-(4-tert-butylphenyl)propanoic acid Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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3-(4-tert-butylphenyl)propanoic acid Production Method

3-(4-tert-butylphenyl)propanoic acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:1208-64-6)3-(4-tert-butylphenyl)propanoic acid
Order Number:A804605
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 04:42
Price ($):214.0

Additional information on 3-(4-tert-butylphenyl)propanoic acid

3-(4-tert-butylphenyl)propanoic Acid (CAS 1208-64-6): Properties, Applications, and Market Insights

3-(4-tert-butylphenyl)propanoic acid (CAS 1208-64-6) is a specialized organic compound that has garnered significant attention in the chemical and pharmaceutical industries. This aromatic carboxylic acid, characterized by its tert-butylphenyl group, is widely utilized in various applications, ranging from pharmaceutical intermediates to cosmetic formulations. Its unique chemical structure and properties make it a valuable component in synthetic chemistry and industrial processes.

The molecular formula of 3-(4-tert-butylphenyl)propanoic acid is C13H18O2, with a molecular weight of 206.28 g/mol. The presence of the tert-butyl group enhances its stability and solubility in organic solvents, making it an ideal candidate for reactions requiring controlled conditions. Researchers and manufacturers often seek this compound for its role in producing high-performance polymers, UV stabilizers, and fragrance ingredients.

One of the most notable applications of 3-(4-tert-butylphenyl)propanoic acid is in the pharmaceutical sector, where it serves as a key intermediate in the synthesis of non-steroidal anti-inflammatory drugs (NSAIDs). Its ability to modulate inflammatory pathways has sparked interest in drug development, particularly for conditions like arthritis and chronic pain. Additionally, its derivatives are explored for their potential in antioxidant formulations, aligning with the growing consumer demand for health and wellness products.

In the cosmetic industry, 3-(4-tert-butylphenyl)propanoic acid is valued for its role in stabilizing formulations and enhancing product longevity. With the rise of clean beauty trends, this compound is increasingly studied for its compatibility with natural ingredients and its ability to improve the efficacy of skincare products. Its mild yet effective properties make it suitable for sensitive skin applications, addressing a common concern among modern consumers.

From a market perspective, the demand for 3-(4-tert-butylphenyl)propanoic acid is driven by advancements in green chemistry and sustainable manufacturing. Companies are investing in eco-friendly synthesis methods to reduce environmental impact, a trend that resonates with global sustainability goals. Furthermore, the compound's versatility in specialty chemicals ensures its relevance in niche markets, including agrochemicals and advanced materials.

Researchers frequently inquire about the synthesis pathway of 3-(4-tert-butylphenyl)propanoic acid, as optimizing its production remains a topic of interest. Common methods include the Friedel-Crafts acylation of tert-butylbenzene, followed by oxidation steps to yield the final product. Innovations in catalytic processes have improved yields and reduced waste, addressing the industry's push toward cost-effective and sustainable chemistry.

Safety and handling of 3-(4-tert-butylphenyl)propanoic acid are also critical considerations. While it is not classified as a hazardous substance, proper storage conditions—such as avoiding prolonged exposure to light and moisture—are recommended to maintain its stability. Regulatory compliance, particularly in the pharmaceutical and cosmetic sectors, ensures its safe integration into end products.

In conclusion, 3-(4-tert-butylphenyl)propanoic acid (CAS 1208-64-6) stands out as a multifaceted compound with broad industrial relevance. Its applications in drug development, cosmetic science, and material innovation highlight its importance in modern chemistry. As industries continue to prioritize sustainability and efficiency, this compound is poised to play a pivotal role in shaping future advancements.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:1208-64-6)3-(4-tert-butylphenyl)propanoic acid
A804605
Purity:99%
Quantity:25g
Price ($):214.0
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