CAS 7786-58-5

Octyl isovalerate

Description:

Octyl isovalerate, with the CAS number 7786-58-5, is an ester formed from the reaction of octanol and isovaleric acid. It is characterized by its pleasant fruity odor, which makes it useful in the flavor and fragrance industries. This compound typically appears as a colorless to pale yellow liquid and is known for its low volatility and moderate solubility in water, while being more soluble in organic solvents. Octyl isovalerate has a relatively low boiling point, which contributes to its use in various applications, including as a flavoring agent in food products and as a fragrance component in cosmetics and personal care items. Additionally, it exhibits stability under normal conditions, although it should be stored away from strong oxidizing agents and heat sources to prevent degradation. Its safety profile indicates that it should be handled with care, as with many chemical substances, to avoid potential irritation or allergic reactions. Overall, octyl isovalerate is valued for its sensory properties and versatility in industrial applications.

Formula: C₁₃H₂₆O₂

InChI: InChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-15-13(14)11-12(2)3/h12H,4-11H2,1-3H3

InChI key: InChIKey=FUBGRVHGQADOJI-UHFFFAOYSA-N

SMILES: C(OCCCCCCCC)(CC(C)C)=O

Synonyms:

• Butanoic acid, 3-methyl-, octyl ester
• ENT 30598
• Octyl isovalerate
• Isovaleric acid, octyl ester
• n-Octyl isovalerate