CAS 25415-68-3

Pentanoic acid, 4-methyl-, propyl ester

Description:

Pentanoic acid, 4-methyl-, propyl ester, also known as propyl 4-methylpentanoate, is an organic compound characterized by its ester functional group derived from the reaction of 4-methylpentanoic acid and propanol. This compound typically appears as a colorless to pale yellow liquid with a fruity odor, making it potentially useful in flavoring and fragrance applications. It has a moderate boiling point and is generally soluble in organic solvents while exhibiting limited solubility in water due to its hydrophobic alkyl chains. The presence of both the pentanoic acid and propyl alcohol components contributes to its chemical stability and reactivity, allowing it to participate in various chemical reactions, including hydrolysis under acidic or basic conditions. Its molecular structure includes a branched alkyl group, which can influence its physical properties and reactivity. As with many esters, it may also exhibit low toxicity, but safety data should be consulted for specific handling and exposure guidelines.

Formula: C₉H₁₈O₂

InChI: InChI=1S/C9H18O2/c1-4-7-11-9(10)6-5-8(2)3/h8H,4-7H2,1-3H3

InChI key: InChIKey=SDINNSBZSSQXBH-UHFFFAOYSA-N

SMILES: C(CCC(C)C)(OCCC)=O

Synonyms:

• Propyl isocaproate
• Propyl 4-methylpentanoate
• Valeric acid, 4-methyl-, propyl ester
• Pentanoic acid, 4-methyl-, propyl ester
• 1-Propyl isocaproate

Propyl 4-methylpentanoate

CAS: 25415-68-3

Propyl 4-methylpentanoate is a carboxylic acid that has been shown to have antibacterial activity. It is used in the production of perfumes and flavors, as well as in the manufacture of polymers. The compound has a taste that is described as slightly acidic with a phenolic odor. It was also found to be effective at inhibiting the growth of bacteria such as Staphylococcus aureus and Streptococcus pyogenes.

Formula: C₉H₁₈O₂

Purity: Min. 95%

Molecular weight: 158.24 g/mol

Ref: 3D-ABA41568