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CAS 67024-46-8

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1-Methylethyl 2-ethylhexanoate

Description:
1-Methylethyl 2-ethylhexanoate, also known by its CAS number 67024-46-8, is an ester compound characterized by its fruity odor and is often used in flavoring and fragrance applications. This substance is formed through the reaction of 1-methylethyl alcohol and 2-ethylhexanoic acid. It typically appears as a colorless to pale yellow liquid and is known for its relatively low volatility and moderate solubility in water, while being more soluble in organic solvents. The compound exhibits a moderate boiling point and density, which are typical for esters. Its chemical structure contributes to its reactivity, making it useful in various chemical syntheses and industrial applications. Additionally, 1-Methylethyl 2-ethylhexanoate is considered to have low toxicity, but like many organic compounds, it should be handled with care to avoid inhalation or skin contact. Overall, its pleasant aroma and functional properties make it valuable in the production of flavors and fragrances.
Formula:C11H22O2
InChI:InChI=1S/C11H22O2/c1-5-7-8-10(6-2)11(12)13-9(3)4/h9-10H,5-8H2,1-4H3
InChI key:InChIKey=KWJPCZGVGLPKMD-UHFFFAOYSA-N
SMILES:C(C(OC(C)C)=O)(CCCC)CC
Synonyms:
  • 1-Methylethyl 2-ethylhexanoate
  • Hexanoic acid, 2-ethyl-, 1-methylethyl ester
  • Isopropyl 2-ethylhexanoate
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