109-15-9

Usage

Uses

Used in Flavor Industry:
Octyl isobutyrate is used as a flavoring agent for its sweet, fruity, and fatty taste characteristics. It is suitable for enhancing the flavor of various food and beverage products.
Used in Fragrance Industry:
Octyl isobutyrate is used as a fragrance ingredient for its pleasant, fruity, and fatty aroma with a soft and humid undertone reminiscent of parsley and fern root. It can be incorporated into perfumes, colognes, and other scented products to provide a unique and appealing scent profile.
Used in Cosmetic Industry:
Octyl isobutyrate can be used in cosmetic products for its pleasant aroma and fragrance properties. It can be incorporated into skincare, haircare, and other personal care products to provide a refreshing and enjoyable scent experience for users.
Used in Aromatherapy:
Due to its pleasant and soothing aroma, Octyl isobutyrate can be used in aromatherapy practices. It can be used in diffusers or blended with other essential oils to create a relaxing and calming atmosphere, promoting mental well-being and stress relief.

Preparation

Esterification of n-octanol with isobutyric acid.

Metabolism

Isobutyrates are hydrolysed to materials that are either normally in the diet or readily converted to such materials (Fassett, 1963a). Isobutyric acid occurs normally in the metabolism of valine, being converted to a propionyl group and entering into the glycogenic process (Fassett, 1963b). π-Octanol is largely oxidized in vivo; about 10% is excreted conjugated with glucuronic acid in rabbits. Isomeric octanols may be more highly conjugated; they may also be oxidized to the ketone or may be excreted unchanged (Williams, 1959).

InChI:InChI=1/C12H24O2/c1-4-5-6-7-8-9-10-14-12(13)11(2)3/h11H,4-10H2,1-3H3

Upstream product

• 111843-38-0 2-Methyl-oxirane-2-carboxylic acid octyl ester 
• 111-87-5 octanol 
• 97-72-3 2-Methylpropionic anhydride 
• 79-31-2 isobutyric Acid 

Relevant academic research and scientific papers

Lewis Acid Catalyzed Synthesis of α-Trifluoromethyl Esters and Lactones by Electrophilic Trifluoromethylation

An electrophilic trifluoromethylation of ketene silyl acetals (KSAs) by hypervalent iodine reagents 1 and 2 has been developed. The reaction proceeds under very mild conditions in the presence of a catalytic amount of trimethylsilyl bis(trifluoromethanesulfonyl)imide (up to 2.5 mol %) as a Lewis acid providing a direct access to a variety of secondary, tertiary, and quaternary α-trifluoromethyl esters and lactones in high yield (up to 98%).

Novel Br?nsted acidic deep eutectic solvent as reaction media for esterification of carboxylic acid with alcohols

New halogen-free Br?nsted acidic deep eutectic solvents (DES) have been prepared by mixing new quaternary ammonium methanesulfonate salts with p-toluenesulfonic acid (PTSA). They have been used as dual solvent-catalyst for esterification of several carboxylic acids with different alcohols with a reagent molar ratio of 1:1. The method is mild, safe, and simple. Ease of recovery and reusability of DES with high activity makes this method efficient and eco-friendly. The tunability of DES properties, attained by changes in the cation, was performed in order to achieve various esters in good yields.

Erbium(III) chloride: A very active acylation catalyst

Erbium(iii) chloride is a powerful catalyst for the acylation of alcohols and phenols. The reaction works well for a large variety of simple and functionalized substrates by using different kinds of acidic anhydrides (Ac 2O, (EtCO)2O, (PriCO)2O, (Bu tCO)2O, and (CF3CO)2), without isomerization of chiral centres. Moreover, the catalyst can be easily recycled and reused without significant loss of activity. CSIRO 2007.

Mg(ClO4)2 as a powerful catalyst for the acylation of alcohols under solvent-free conditions

A trace amount of magnesium perchlorate (from 0.1 mol% to 1 mol%) is able to promote quantitative acylation, with anhydrides, of a large variety of functionalized alcohols in short times, at room temperature and under solvent-free conditions.

Structure-function correlation in lipase catalysed esterification reactions of short and medium carbon chain length alcohols and acids

An attempt has been made to correlate the carbon chain lengths of acids and alcohols to the extent of esterification in the Rhizomucor miehei lipase catalyzed esterification reactions involving acids of carbon chain length C2-C5 and alcohols of carbon chain length C1-C8.

SmI2-INDUCED HIGHLY REGIOSELECTIVE REDUCTION OF α,β-EPOXY ESTERS AND γ,δ-EPOXY-α,β-UNSATURATED ESTERS. AN EFFICIENT ROUTE TO OPTICALLY ACTIVE β-HYDROXY AND δ-HYDROXY ESTERS

α,β-Epoxy esters were rapidly reduced at room temperature to yield β-hydroxy esters with retention of the configurations at the β-carbon atoms by using SmI2-THF-HMPA system in the presence of N,N-dimethylaminoethanol (DMAE).The conditions were successfully applied to the synthesis of vinylogous δ-hydroxy esters.