Description

Ethyl 2-ethylhexanoate (CAS No. 2983-37-1) is a high-purity ester compound with the molecular formula C₁₀H₂₀O₂, widely utilized in research and industrial applications. This colorless to pale yellow liquid exhibits a fruity, floral odor, making it valuable in fragrance formulation and flavoring agents. With a boiling point of approximately 198-200°C and a density of ~0.87 g/cm³, it is soluble in organic solvents like ethanol and ether but insoluble in water. Ethyl 2-ethylhexanoate is synthesized via esterification of 2-ethylhexanoic acid with ethanol, ensuring >98% purity (GC) for consistent performance. Ideal for use as a plasticizer intermediate, solvent, or reference standard in GC/MS analysis. Packaged in amber glass bottles or HDPE containers to prevent degradation, with options for bulk quantities.

Properties

• CAS Number: 2983-37-1
• Complexity: 121
• IUPAC Name: ethyl 2-ethylhexanoate
• InChI: InChI=1S/C10H20O2/c1-4-7-8-9(5-2)10(11)12-6-3/h9H,4-8H2,1-3H3
• InChI Key: YXAGIRHBJJLWHW-UHFFFAOYSA-N
• Exact Mass: 172.146329876
• Molecular Formula: C10H20O2
• Molecular Weight: 172.26
• SMILES: CCCCC(CC)C(=O)OCC
• Topological: 26.3
• Monoisotopic Mass: 172.146329876
• Physical Description: Clear to pale yellow liquid / Fruity tropical aroma
• Boiling Point: 81.00 °C. @ 24.00 mm Hg
• Solubility: Practically insoluble or insoluble
• Density: 0.860 – 0.867
• Refractive Index: 1.411 – 1.417
• Synonyms: Ethyl 2-ethylhexanoate, Ethyl 2-ethylcaproate, Hexanoic acid, 2-ethyl-, ethyl ester, orris capronate, UNII-G42R59N31I, G42R59N31I, Ethylalpha-ethylhexanoate, EINECS 221-043-3, Ethyl.alpha.-ethylhexanoate, AI3-33644, FEMA NO. 4345, YXAGIRHBJJLWHW-UHFFFAOYSA-, DTXSID40863070, ETHYL .ALPHA.-ETHYLCAPROATE, ETHYL 2-ETHYLHEXANOATE [FHFI], ETHYL ALPHA-ETHYLCAPROATE, DTXCID70811746, 221-043-3, inchi=1/c10h20o2/c1-4-7-8-9(5-2)10(11)12-6-3/h9h,4-8h2,1-3h3, yxagirhbjjlwhw-uhfffaoysa-n, 2983-37-1, irotyl, Ethyl alpha-Ethylcaproate; Irotyl, ethyl2-ethylhexanoate, MFCD00462678, Ethyl a-ethylcaproate, SCHEMBL332831, SCHEMBL4396327, SCHEMBL4396330, CHEBI:179548, LMFA07010855, SBB061119, STL301769, AKOS009513432, DS-2570, DB-370255, CS-0152384, NS00012402, ST51047179, C74530, Q27278712

Application

Ethyl 2-ethylhexanoate serves as a key intermediate in the synthesis of plasticizers and lubricant additives due to its ester functionality. In the fragrance industry, it is employed as a flavoring agent for its sweet, fruity aroma. Researchers also utilize it as a solvent or reference standard in chromatographic analysis. Its stability and low toxicity make it suitable for polymer and coating formulations.

Safety and Hazards

GHS Hazard Statements

• Not Classified
• Reported as not meeting GHS hazard criteria by 1542 of 1568 companies (only 1.7% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Hazard Classes and Categories

• Not Classified

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