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Atomfair Butanoic acid, 2-acetyl-3-methyl-, ethyl ester C9H16O3 CAS 1522-46-9

Ethyl 2-acetyl-3-methylbutanoate (CAS 1522-46-9) is a high-purity ester compound with the molecular formula C9H16O3. This specialty chemical is widely utilized in organic synthesis, flavor and fragrance formulations, and pharmaceutical research due to its unique structural properties. The compound features a branched-chain ester with acetyl and methyl substituents, offering versatile reactivity for nucleophilic and electrophilic transformations. Available in >98% purity (GC), it is supplied in amber glass bottles under inert gas to ensure stability. Ideal for researchers requiring precise control over esterification and condensation reactions. NMR, HPLC, and MS data available upon request.

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Description

Ethyl 2-acetyl-3-methylbutanoate (CAS 1522-46-9) is a high-purity ester compound with the molecular formula C9H16O3. This specialty chemical is widely utilized in organic synthesis, flavor and fragrance formulations, and pharmaceutical research due to its unique structural properties. The compound features a branched-chain ester with acetyl and methyl substituents, offering versatile reactivity for nucleophilic and electrophilic transformations. Available in >98% purity (GC), it is supplied in amber glass bottles under inert gas to ensure stability. Ideal for researchers requiring precise control over esterification and condensation reactions. NMR, HPLC, and MS data available upon request.

Properties

  • CAS Number: 1522-46-9
  • Complexity: 173
  • IUPAC Name: ethyl 2-acetyl-3-methyl-butanoate
  • InChI: InChI=1S/C9H16O3/c1-5-12-9(11)8(6(2)3)7(4)10/h6,8H,5H2,1-4H3
  • InChI Key: DMIFFKCVURTPTG-UHFFFAOYSA-N
  • Exact Mass: 172.109944368
  • Molecular Formula: C9H16O3
  • Molecular Weight: 172.22
  • SMILES: CCOC(=O)C(C(C)C)C(=O)C
  • Topological: 43.4
  • Monoisotopic Mass: 172.109944368
  • Synonyms: Ethyl 2-acetyl-3-methylbutanoate, 1522-46-9, Butanoic acid, 2-acetyl-3-methyl-, ethyl ester, EINECS 216-192-6, NSC 18754, NSC 25315, NSC 54978, AI3-11197, DTXSID60870882, DTXCID80818564, dmiffkcvurtptg-uhfffaoysa-n, Ethyl 2-isopropylacetoacetate, 2-Isopropylacetoacetic acid ethyl ester, ethyl 2-acetyl-3-methyl-butanoate, Ethyl alpha-isopropylacetoacetate, Ethyl 2-acetyl-3-methylbutyrate, Acetoacetic acid, 2-isopropyl-, ethyl ester, MFCD00042884, 152548-74-8, Ethyl .alpha.-isopropylacetoacetate, Ethyl 2-iso-propylacetoacetate, ethyl isopropylaceto-acetate, ghl.PD_Mitscher_leg0.994, SCHEMBL1919905, Ethyl 2- acetyl-3-methylbutanoate, NSC18754, NSC25315, NSC54978, NSC-18754, NSC-25315, NSC-54978, NSC241511, STL185654, AKOS009157668, FS-4240, NSC-241511, SY052922, 2-Acetyl-3-methylbutyric Acid Ethyl Ester, 2-acetyl-3-methyl-butyric acid ethyl ester, DB-063938, CS-0216962, E1119, NS00044380, EN300-65034, F21372, Ethyl 2-isopropylacetoacetate, technical, >=90% (GC)

Application

Ethyl 2-acetyl-3-methylbutanoate serves as a key intermediate in synthetic organic chemistry, particularly for constructing complex ester frameworks. In flavor chemistry, it contributes fruity and tropical notes to fragrance compositions. Pharmaceutical researchers employ this compound as a building block for active pharmaceutical ingredients (APIs) with branched-chain motifs.

Safety and Hazards

GHS Hazard Statements

  • H227 (100%): Combustible liquid [Warning Flammable liquids]
  • 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

  • P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501

Hazard Classes and Categories

  • Flam. Liq. 4 (100%)
  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2A (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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