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Atomfair 1,3-Benzodioxole-5-carboxylic acid, ethyl ester C10H10O4 CAS 6951-08-2

1,3-Benzodioxole-5-carboxylic acid, ethyl ester (CAS No. 6951-08-2) is a high-purity organic compound with the molecular formula C10H10O4. This ester derivative of piperonylic acid features a benzodioxole core, making it a valuable intermediate in synthetic organic chemistry and pharmaceutical research. With a purity of ≥98%, this product is ideal for use in coupling reactions, flavor and fragrance synthesis, and as a precursor for bioactive molecules. The compound is supplied as a clear to pale yellow liquid, stored under inert conditions to ensure stability. Each batch is rigorously tested via GC-MS and NMR to confirm identity and purity, meeting the stringent requirements…

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Description

1,3-Benzodioxole-5-carboxylic acid, ethyl ester (CAS No. 6951-08-2) is a high-purity organic compound with the molecular formula C10H10O4. This ester derivative of piperonylic acid features a benzodioxole core, making it a valuable intermediate in synthetic organic chemistry and pharmaceutical research. With a purity of ≥98%, this product is ideal for use in coupling reactions, flavor and fragrance synthesis, and as a precursor for bioactive molecules. The compound is supplied as a clear to pale yellow liquid, stored under inert conditions to ensure stability. Each batch is rigorously tested via GC-MS and NMR to confirm identity and purity, meeting the stringent requirements of research and industrial applications.

Properties

  • CAS Number: 6951-08-2
  • Complexity: 216
  • IUPAC Name: ethyl 1,3-benzodioxole-5-carboxylate
  • InChI: InChI=1S/C10H10O4/c1-2-12-10(11)7-3-4-8-9(5-7)14-6-13-8/h3-5H,2,6H2,1H3
  • InChI Key: JGHXNKLHSHDHDG-UHFFFAOYSA-N
  • Exact Mass: 194.05790880
  • Molecular Formula: C10H10O4
  • Molecular Weight: 194.18
  • SMILES: CCOC(=O)C1=CC2=C(C=C1)OCO2
  • Topological: 44.8
  • Monoisotopic Mass: 194.05790880
  • Synonyms: 6951-08-2, Piperonylic acid, ethyl ester, Ethyl 3,4-(methylenedioxy)benzoate, 1,3-Benzodioxole-5-carboxylic acid, ethyl ester, AI3-03815, EINECS 230-125-8, NSC 49217, Ethyl benzo[d][1,3]dioxole-5-carboxylate, ethyl 1,3-benzodioxole-5-carboxylate, 1,3-BENZODIOXOLE-5-CARBOXYLIC ACID ETHYL ESTER, Ethyl piperonylate, NSC-49217, ethyl 2H-1,3-benzodioxole-5-carboxylate, MFCD00798034, Ethylbenzo[d][1,3]dioxole-5-carboxylate, 6RW78ZBY4K, SCHEMBL1640023, DTXSID7052440, NSC49217, AKOS008947912, AS-83259, DB-250041, CS-0455000, NS00043699, S11649

Application

1,3-Benzodioxole-5-carboxylic acid, ethyl ester is widely used as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and fragrances. Its benzodioxole moiety is particularly valuable in the development of compounds with potential CNS activity. Researchers also employ it in the preparation of heterocyclic compounds and as a building block for ligands in catalytic systems. Additionally, it serves as a precursor for flavors due to its aromatic properties.

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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).

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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.

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  • 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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