CAS 1129-47-1

Cyclohexyl isobutyrate

Description:

Cyclohexyl isobutyrate, with the CAS number 1129-47-1, is an organic compound classified as an ester. It is formed from the reaction of cyclohexanol and isobutyric acid. This substance typically appears as a colorless to pale yellow liquid with a characteristic fruity odor, making it useful in the fragrance and flavoring industries. Cyclohexyl isobutyrate is known for its relatively low volatility and moderate solubility in water, while being more soluble in organic solvents. Its chemical structure features a cyclohexyl group attached to an isobutyrate moiety, contributing to its unique properties. The compound is generally considered to have low toxicity, but like many esters, it can cause irritation upon contact with skin or eyes. In terms of applications, it is often utilized in the formulation of perfumes, cosmetics, and food flavorings, where it imparts a pleasant scent or taste. Proper handling and storage are essential to maintain its stability and prevent degradation.

Formula: C₁₀H₁₈O₂

InChI: InChI=1S/C10H18O2/c1-8(2)10(11)12-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3

InChI key: InChIKey=IYYXBWAISHVFEX-UHFFFAOYSA-N

SMILES: O(C(C(C)C)=O)C1CCCCC1

Synonyms:

• Isobutyric acid, cyclohexyl ester
• Cyclohexyl isobutyrate
• 2-Methylpropanoic acid cyclohexyl ester
• Propanoic acid, 2-methyl-, cyclohexyl ester
• NSC 53788