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Atomfair 4-tert-Butyl-3-methoxybenzoic acid C12H16O3 CAS 79822-46-1

4-tert-Butyl-3-methoxybenzoic acid (CAS: 79822-46-1) is a high-purity organic compound with the molecular formula C12H16O3. This fine chemical is widely utilized in pharmaceutical research, agrochemical development, and advanced material synthesis due to its unique structural properties. The compound features a tert-butyl group and a methoxy substituent on a benzoic acid backbone, making it a versatile intermediate for derivatization and functionalization. Our product is rigorously tested to ensure ≥98% purity (HPLC/GC), with detailed analytical reports (COA) available upon request. Supplied as a white to off-white crystalline powder, it is packaged under inert conditions to guarantee stability and longevity. Ideal for lab-scale experiments…

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Description

4-tert-Butyl-3-methoxybenzoic acid (CAS: 79822-46-1) is a high-purity organic compound with the molecular formula C12H16O3. This fine chemical is widely utilized in pharmaceutical research, agrochemical development, and advanced material synthesis due to its unique structural properties. The compound features a tert-butyl group and a methoxy substituent on a benzoic acid backbone, making it a versatile intermediate for derivatization and functionalization. Our product is rigorously tested to ensure ≥98% purity (HPLC/GC), with detailed analytical reports (COA) available upon request. Supplied as a white to off-white crystalline powder, it is packaged under inert conditions to guarantee stability and longevity. Ideal for lab-scale experiments or bulk manufacturing, this reagent is a critical building block for synthesizing specialized compounds in medicinal chemistry and material science.

Properties

  • CAS Number: 79822-46-1
  • Complexity: 230
  • IUPAC Name: 4-tert-butyl-3-methoxy-benzoic acid
  • InChI: InChI=1S/C12H16O3/c1-12(2,3)9-6-5-8(11(13)14)7-10(9)15-4/h5-7H,1-4H3,(H,13,14)
  • InChI Key: CSJQLIMNCLFPLZ-UHFFFAOYSA-N
  • Exact Mass: 208.109944368
  • Molecular Formula: C12H16O3
  • Molecular Weight: 208.25
  • SMILES: CC(C)(C)C1=C(C=C(C=C1)C(=O)O)OC
  • Topological: 46.5
  • Monoisotopic Mass: 208.109944368
  • Synonyms: 79822-46-1, 4-TERT-BUTYL-3-METHOXYBENZOIC ACID, DTXSID20508593, DTXCID70459400, 616-742-9, 4-(tert-butyl)-3-methoxybenzoic acid, 3-Methoxy-4-tert-butylbenzoic acid, 3-Methoxy-4-t-butylbenzoic acid, MFCD06656116, 3-Methoxy-4-t-Butyl-Benzoic acid, 4-tert-butyl-3-methoxy-benzoic acid, SCHEMBL1542321, CSJQLIMNCLFPLZ-UHFFFAOYSA-N, 3-Methoxy-4-tert-butylbenozic acid, 4-(tert-butyl)-3-methoxybenzoicacid, SBB051436, AKOS015851429, AC-9494, FM37955, PS-8037, SY015476, DB-006481, ST50828076

4-tert-Butyl-3-methoxybenzoic acid serves as a key intermediate in the synthesis of bioactive molecules, particularly in pharmaceutical research targeting anti-inflammatory and antimicrobial agents. Its tert-butyl and methoxy groups enhance lipophilicity, making it valuable for drug formulation studies. Researchers also employ it in polymer chemistry to modify aromatic polyesters for improved thermal stability. Additionally, it finds use in agrochemicals as a precursor for herbicidal compounds.

Safety and Hazards

GHS Hazard Statements

  • H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]
  • H411 (95%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

  • P264, P270, P273, P301+P317, P330, P391, and P501

Hazard Classes and Categories

  • Acute Tox. 4 (95%)
  • Aquatic Chronic 2 (95%)

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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