cis-3-Hexenyl Isobutyrate (CAS number: 41519-23-7) is a clear liquid ester that ranges from colorless to light yellow. Although it occurs naturally as a trace component in guava fruit, spearmint oil, and Chinese quince peel, this raw material is primarily synthesized for commercial use in the flavor and fragrance industry. To prevent oxidation, the product is typically stabilized with a very small amount of synthetic vitamin E (alpha-tocopherol, ranging from 0.01% to 0.20%).
This ingredient is renowned for its powerful, highly diffusive, and fresh green-fruity aroma. Its scent profile is a perfect blend of freshly cut grass, crisp green apple, sweet pear, and tropical fruits (like mango and pineapple), along with nuances of tomato leaf and violet leaf. When tasted at low concentrations (1-5 ppm), it delivers a sweet apple and pear flavor accompanied by green vegetative undertones of raw beans and filberts (hazelnuts). Compared to its closely related positional isomer, cis-3-Hexenyl Butyrate (which has a buttery, heavy, wine or brandy-like character), cis-3-Hexenyl Isobutyrate offers a much cleaner, sweeter, and more purely fruit-forward profile.
Acting as a heart note, this compound exhibits moderate volatility and can last up to 8 hours on a perfumer's smelling strip. Using only a very small amount (typically averaging around 0.2% and recommended below 1%), it can add natural vitality and freshness to floral notes (such as jasmine, muguet, and violet) or citrus and fruity accords. In terms of stability, it performs excellently in ethanol-based fine fragrances, bar soaps, antiperspirants/deodorants, and hard surface cleaners. However, this compound is highly unsuitable for use in high-water content products like shampoos or shower gels, as it rapidly hydrolyzes to form free isobutyric acid, which emits an unpleasant, rancid odor. In the food industry, it serves as an ideal flavoring agent for baked goods, beverages, frozen dairy, and chewing gum.
Regarding safety, cis-3-Hexenyl Isobutyrate is Generally Recognized as Safe (GRAS) by FEMA for use as a flavoring substance and exhibits very low acute toxicity. However, in its pure raw material form, it is classified as a combustible liquid and causes skin irritation upon direct contact. Therefore, safe handling requires wearing protective equipment, keeping the material away from heat or open flames, and storing it in tightly closed containers in a cool, dry, and well-ventilated place.
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