Description

Ethyl 4-methylpentanoate (CAS No. 25415-67-2) is a high-purity ester compound with the molecular formula C₈H₁₆O₂, widely utilized in organic synthesis, flavor and fragrance formulation, and pharmaceutical research. This clear, colorless liquid exhibits a fruity, apple-like aroma, making it a valuable intermediate in perfumery and food flavoring applications. Its IUPAC name, ethyl 4-methylpentanoate, reflects its structural composition as an ethyl ester of 4-methylpentanoic acid. With a boiling point of approximately 160-162°C and a density of ~0.86 g/cm³, it is soluble in organic solvents like ethanol and diethyl ether but immiscible in water. Our product is rigorously tested for purity (typically ≥98% by GC) and is supplied in tightly sealed amber glass bottles to ensure stability and longevity. Synonyms include ethyl 4-methylvalerate and ethyl isocaproate.

Properties

• CAS Number: 25415-67-2
• Complexity: 97.4
• IUPAC Name: ethyl 4-methylpentanoate
• InChI: InChI=1S/C8H16O2/c1-4-10-8(9)6-5-7(2)3/h7H,4-6H2,1-3H3
• InChI Key: OFQRUTMGVBMTFQ-UHFFFAOYSA-N
• Exact Mass: 144.115029749
• Molecular Formula: C8H16O2
• Molecular Weight: 144.21
• SMILES: CCOC(=O)CCC(C)C
• Topological: 26.3
• Monoisotopic Mass: 144.115029749
• Physical Description: Clear to pale yellow liquid / Fruity tropical aroma
• Boiling Point: 160.00 to 163.00 °C. @ 760.00 mm Hg
• Solubility: Practically insoluble or insoluble
• Density: 0.865 – 0.875
• Refractive Index: 1.402 – 1.409
• Synonyms: Ethyl 4-methylvalerate, Ethyl 4-methylpentanoate, Ethyl isocaproate, Pentanoic acid, 4-methyl-, ethyl ester, Valeric acid, 4-methyl-, ethyl ester, 4-Methylvaleric Acid Ethyl Ester, UNII-DZX6U00Q87, Ethyl iso-hexanoate, DZX6U00Q87, EINECS 246-955-9, AI3-33648, DTXSID6067094, FEMA NO. 4343, ETHYL 4-METHYLPENTANOATE [FHFI], Ethyl 4-methylpentanoic acid, DTXCID4037299, 246-955-9, ofqrutmgvbmtfq-uhfffaoysa-n, 25415-67-2, Ethyl isohexanoate, ethyl 4-methyl valerate, Ethyl 4-Methylpentanoate; Ethyl 4-Methylvalerate; Ethyl Isocaproate; Ethyl Isohexanoate; 4-Methylpentanoic Acid Ethyl Ester, ethyl isobutylacetate, MFCD00042887, Ethyl4-methylpentanoate, Ethyl-4-methyl-pentanoate, SCHEMBL103981, SCHEMBL128591, SCHEMBL1531113, SCHEMBL3188516, SCHEMBL27531458, CHEBI:89445, LMFA07010869, Pentanoic acid,4-methyl-,ethyl ester, AKOS009165289, FE52521, BS-22311, Ethyl 4-methylvalerate, >=97.0% (GC), DB-067395, CS-0151589, NS00021943, D81903, Q27161641

Application

Ethyl 4-methylpentanoate is primarily employed as a flavor and fragrance ingredient, imparting sweet, fruity notes to food products, beverages, and perfumes. In organic chemistry, it serves as a versatile building block for esterification and transesterification reactions. Researchers also utilize it as a solvent or intermediate in the synthesis of pharmaceuticals and agrochemicals.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

Hazard Classes and Categories

• Flam. Liq. 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.