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Atomfair Ethyl 3-oxovalerate C7H12O3 CAS 4949-44-4

Ethyl 3-oxovalerate (CAS No. 4949-44-4) is a high-purity organic ester widely utilized in research and industrial applications. With the molecular formula C7H12O3, this compound serves as a versatile intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and flavoring agents. Its chemical structure features a keto group adjacent to an ester functionality, making it a valuable precursor for condensation reactions and nucleophilic substitutions. Available in purities ≥97% (GC), our Ethyl 3-oxovalerate is rigorously tested for consistency, ensuring optimal performance in sensitive applications. Suitable for laboratory and bulk-scale use, it is packaged under inert conditions to maintain stability and…

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Description

Ethyl 3-oxovalerate (CAS No. 4949-44-4) is a high-purity organic ester widely utilized in research and industrial applications. With the molecular formula C7H12O3, this compound serves as a versatile intermediate in organic synthesis, particularly in the production of pharmaceuticals, agrochemicals, and flavoring agents. Its chemical structure features a keto group adjacent to an ester functionality, making it a valuable precursor for condensation reactions and nucleophilic substitutions. Available in purities ≥97% (GC), our Ethyl 3-oxovalerate is rigorously tested for consistency, ensuring optimal performance in sensitive applications. Suitable for laboratory and bulk-scale use, it is packaged under inert conditions to maintain stability and shelf life.

Properties

  • CAS Number: 4949-44-4
  • Complexity: 129
  • IUPAC Name: ethyl 3-oxopentanoate
  • InChI: InChI=1S/C7H12O3/c1-3-6(8)5-7(9)10-4-2/h3-5H2,1-2H3
  • InChI Key: UDRCONFHWYGWFI-UHFFFAOYSA-N
  • Exact Mass: 144.078644241
  • Molecular Formula: C7H12O3
  • Molecular Weight: 144.17
  • SMILES: CCC(=O)CC(=O)OCC
  • Topological: 43.4
  • Monoisotopic Mass: 144.078644241
  • Synonyms: Ethyl 3-oxopentanoate, Ethyl 3-oxovalerate, Pentanoic acid, 3-oxo-, ethyl ester, EINECS 225-593-5, AI3-30964, UDRCONFHWYGWFI-UHFFFAOYSA-, DTXSID20197800, NSC 7251, NSC 78662, DTXCID40120291, 225-593-5, inchi=1/c7h12o3/c1-3-6(8)5-7(9)10-4-2/h3-5h2,1-2h3, Ethyl propionylacetate, 4949-44-4, Ethyl Propanoylacetate, 3-Oxopentanoic acid ethyl ester, Ethyl 3-oxo-n-valerate, 3-oxo-pentanoic acid ethyl ester, MFCD00009317, 3-Ketovaleric Acid Ethyl Ester, NSC-7251, NSC-78662, ethyl propionoylacetate, ethyl-3-oxopentanoate, Ethyl 3-Ketopentanoate, ethyl 3-oxo-pentanoate, Ethyl 3-oxopentanoate #, P45XZ5RD8B, Ethyl propionylacetate, 97%, Ethyl-gamma-methylacetoacetate, SCHEMBL181997, 3-Oxovaleric Acid Ethyl Ester, Propionylacetic Acid Ethyl Ester, NSC7251, 3-keto-n-valeric acid ethyl ester, NSC78662, Valeric acid, 3-oxo-, ethyl ester, BBL100735, STL554529, AKOS005255091, CS-W019881, DS-1602, FE23064, alpha-methylacetylacetic acid ethyl ester, HY-78211, SY008856, DB-051636, K0031, NS00031904, EN300-81762, Aceticacid,2-(2-propen-1-yloxy)-,ethyl ester, Ethyl 3-oxovalerate, purum, >=97.0% (GC), F8889-9376, Z839817064, 3-Oxopentanoic acid ethyl ester;3-Oxovaleric acid ethyl ester

Ethyl 3-oxovalerate is commonly employed as a building block in organic synthesis, particularly for the preparation of heterocyclic compounds and active pharmaceutical ingredients (APIs). It serves as a key intermediate in the synthesis of fragrances and flavoring agents due to its mild, fruity odor. Researchers also utilize it in studies involving keto-ester chemistry and catalytic transformations. Its stability and reactivity make it suitable for use in both academic and industrial R&D settings.

Safety and Hazards

GHS Hazard Statements

  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2A (100%)
  • STOT SE 3 (97.9%)

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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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