Description

Ethyl 2-acetylhexanoate (CAS 1540-29-0) is a high-purity ester compound with the molecular formula C₁₀H₁₈O₃, widely utilized in organic synthesis and specialty chemical applications. This clear, colorless to pale yellow liquid exhibits a fruity odor, making it valuable in flavor and fragrance formulations. With a molecular weight of 186.25 g/mol, it features a unique acetylhexanoate structure that enhances reactivity in esterification and condensation reactions. Ideal for researchers, this compound is rigorously tested for consistency, purity, and stability, ensuring reliable performance in synthetic workflows. Available in various packaging options, including amber glass bottles and bulk quantities, to suit laboratory and industrial-scale needs.

Properties

• CAS Number: 1540-29-0
• Complexity: 175
• IUPAC Name: ethyl 2-acetylhexanoate
• InChI: InChI=1S/C10H18O3/c1-4-6-7-9(8(3)11)10(12)13-5-2/h9H,4-7H2,1-3H3
• InChI Key: ZTOQBHVLCJERBS-UHFFFAOYSA-N
• Exact Mass: 186.125594432
• Molecular Formula: C10H18O3
• Molecular Weight: 186.25
• SMILES: CCCCC(C(=O)C)C(=O)OCC
• Topological: 43.4
• Monoisotopic Mass: 186.125594432
• Physical Description: Colourless clear liquid; Fruity wine-like aroma
• Solubility: Practically insoluble or insoluble in water
• Density: 0.949-0.959
• Refractive Index: 1.425-1.435
• Synonyms: Ethyl 2-acetylhexanoate, 1540-29-0, Ethyl 2-butylacetoacetate, Hexanoic acid, 2-acetyl-, ethyl ester, 2-Acetylhexanoic Acid Ethyl Ester, Ethyl .alpha.-butylacetoacetate, CKN84UW7SK, EINECS 216-271-5, NSC-11771, NSC-25322, AI3-02543, FEMA NO. 4452, 3-CARBETHOXY-2-HEPTANONE, DTXSID20862687, ETHYL 2-BUTYLACETYLACETATE, ETHYL 2-BUTYL-3-OXOBUTANOATE, NSC 11771, NSC 25322, NSC 404202, CAPROIC ACID, .ALPHA.-ACETYL-, ETHYL ESTER, Ethyl alpha-butylacetoacetate, DTXCID60811417, (+-)-ETHYL 2-ACETYLHEXANOATE, ETHYL 2-ACETYLHEXANOATE, (+-)-, CAPROIC ACID, ALPHA-ACETYL-, ETHYL ESTER, 216-271-5, Ethyl 2-n-butylacetoacetate, MFCD00026888, ethyl 2-acetyl hexanoate, UNII-CKN84UW7SK, 2-acetyl-hexanoic acid ethyl ester, ethyl butyl acetoacetate, ethyl-2-n-butylacetoacetate, SCHEMBL650590, ALBB-021832, NSC11771, NSC25322, 2-Butylacetoacetic Acid Ethyl Ester, NSC404202, 2-n-Butylacetoacetic acid ethyl ester, AKOS009156384, NSC-404202, (+/-)-ETHYL 2-ACETYLHEXANOATE, ethyl 2-N-butylacetoacetate, AldrichCPR, AS-16161, SY036832, DB-043209, ETHYL 2-ACETYLHEXANOATE, (+/-)-, B0702, CS-0152388, NS00047597, EN300-49173, D70262, Q27275506, InChI=1/C10H18O3/c1-4-6-7-9(8(3)11)10(12)13-5-2/h9H,4-7H2,1-3H

Application

Ethyl 2-acetylhexanoate serves as a versatile intermediate in the synthesis of pharmaceuticals, agrochemicals, and fine chemicals. Its acetyl and ester functional groups enable participation in Claisen condensations and Michael additions. Researchers also employ it as a precursor for chiral building blocks in asymmetric synthesis. Additionally, its fruity aroma profile makes it useful in fragrance and flavor industries for creating complex scent compositions.

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