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Atomfair 3,7-Diethyl-4,6-nonanedione C13H24O2 CAS 872802-98-7

3,7-Diethyl-4,6-nonanedione (CAS No. 872802-98-7) is a high-purity diketone compound with the molecular formula C13H24O2. This specialty chemical, also known by its IUPAC name 3,7-diethylnonane-4,6-dione , is characterized by its unique structural properties, featuring two ethyl groups at the 3 and 7 positions and two ketone functionalities at the 4 and 6 positions. With a molecular weight of 212.33 g/mol, this compound is ideal for synthetic organic chemistry applications, particularly as a building block for complex molecular architectures. It is supplied as a clear to pale yellow liquid with a distinct ketonic odor, and its purity is rigorously verified by GC-MS…

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Description

3,7-Diethyl-4,6-nonanedione (CAS No. 872802-98-7) is a high-purity diketone compound with the molecular formula C13H24O2. This specialty chemical, also known by its IUPAC name 3,7-diethylnonane-4,6-dione, is characterized by its unique structural properties, featuring two ethyl groups at the 3 and 7 positions and two ketone functionalities at the 4 and 6 positions. With a molecular weight of 212.33 g/mol, this compound is ideal for synthetic organic chemistry applications, particularly as a building block for complex molecular architectures. It is supplied as a clear to pale yellow liquid with a distinct ketonic odor, and its purity is rigorously verified by GC-MS and NMR analysis to ensure consistency for research and industrial use. Proper storage under inert conditions is recommended to maintain stability.

Properties

  • CAS Number: 872802-98-7
  • Complexity: 179
  • IUPAC Name: 3,7-diethylnonane-4,6-dione
  • InChI: InChI=1S/C13H24O2/c1-5-10(6-2)12(14)9-13(15)11(7-3)8-4/h10-11H,5-9H2,1-4H3
  • InChI Key: MFELLNQJMHCAKI-UHFFFAOYSA-N
  • Exact Mass: 212.177630004
  • Molecular Formula: C13H24O2
  • Molecular Weight: 212.33
  • SMILES: CCC(CC)C(=O)CC(=O)C(CC)CC
  • Topological: 34.1
  • Monoisotopic Mass: 212.177630004
  • Synonyms: 872802-98-7, 3,7-Diethyl-4,6-nonanedione, 863-404-3, 3,7-Diethylnonane-4,6-dione, MFCD30738768, SCHEMBL14285857, SCHEMBL29046754, AKOS037651366, SB66889, CS-16750, SY262261, DB-165139, CS-0102881, D76317

Application

3,7-Diethyl-4,6-nonanedione serves as a versatile intermediate in organic synthesis, particularly in the preparation of complex diketones and heterocyclic compounds. Its bifunctional ketone groups make it valuable for condensation reactions and as a precursor for ligands in coordination chemistry. Researchers also utilize this compound in the development of flavor and fragrance ingredients due to its structural similarity to naturally occurring diketones. Additionally, it may be employed in material science for the synthesis of specialized polymers and coatings.

Safety and Hazards

GHS Hazard Statements

  • H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

  • P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

  • Acute Tox. 4 (100%)
  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2 (100%)
  • STOT SE 3 (100%)

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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).

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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