Description

Methyl 2,2-dimethylacetoacetate (CAS: 38923-57-8) is a high-purity organic ester with the molecular formula C₇H₁₂O₃. This specialized chemical is widely utilized in pharmaceutical synthesis, agrochemical production, and advanced material research due to its reactive β-ketoester functionality. Our product is rigorously tested to meet the highest industry standards, ensuring exceptional consistency for sensitive applications. Packaged under inert gas to maintain stability, this compound is available in quantities ranging from laboratory-scale to bulk industrial orders. With over 30 documented synonyms including Methyl 2,2-dimethyl-3-oxobutanoate and EINECS 254-189-1, this versatile building block is essential for researchers developing novel compounds requiring precise molecular architecture.

Properties

• CAS Number: 38923-57-8
• Complexity: 158
• IUPAC Name: methyl 2,2-dimethyl-3-oxo-butanoate
• InChI: InChI=1S/C7H12O3/c1-5(8)7(2,3)6(9)10-4/h1-4H3
• InChI Key: LVSDLZIEHYYLTC-UHFFFAOYSA-N
• Exact Mass: 144.078644241
• Molecular Formula: C7H12O3
• Molecular Weight: 144.17
• SMILES: CC(=O)C(C)(C)C(=O)OC
• Topological: 43.4
• Monoisotopic Mass: 144.078644241
• Synonyms: Methyl 2,2-dimethylacetoacetate, EINECS 254-189-1, DTXSID40192211, NSC 93904, DTXCID50114702, 254-189-1, 38923-57-8, Methyl 2,2-dimethyl-3-oxobutanoate, METHYL2,2-DIMETHYLACETOACETATE, Butanoic acid, 2,2-dimethyl-3-oxo-, methyl ester, MFCD00026232, Q75TYA8L62, methyl 2,2-dimethyl-3-oxo-butanoate, NSC-93904, 2,2-dimethyl-3-oxo-butyric acid methyl ester, 2,2-Dimethyl-3-oxobutyric acid, methyl ester, 2,2-Dimethylacetoacetic acid methyl ester, Methyl 2,2-Dimethyl-3-Oxobutyrate, UNII-Q75TYA8L62, SCHEMBL1022153, CHEBI:167363, CS-M0049, NBA92357, NSC93904, methyl 2,2dimethyl-3-oxo-butanoate, AB1519, AKOS015902536, Methyl 2,2-dimethyl-3-oxobutanoate #, BP-11323, DS-14763, SY012342, DB-069741, Methyl 2 pound not2-dimethyl-3-oxobutanoate, NS00030484, Acetoacetic acid, 2,2-dimethyl-, methyl ester, EN300-205129, Z1255485815

This β-ketoester serves as a critical intermediate in the synthesis of heterocyclic compounds and active pharmaceutical ingredients (APIs). Researchers employ it as a precursor for pyrazole and pyrrole derivatives in medicinal chemistry applications. The compound’s sterically hindered structure makes it particularly valuable for developing specialty agrochemicals with improved stability profiles. In material science, it functions as a reactive monomer for advanced polymer formulations requiring controlled cross-linking.

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.