3-Methylbutyl valerate (CAS 2050-09-01) — Sweet Top-middle Note Fragrance Ingredient
3-Methylbutyl valerate
CAS 2050-09-01
What Is 3-Methylbutyl valerate?
3-Methylbutyl valerate is a synthetic ester commonly used in fruit-flavored products and fragrances. It’s found in candies, beverages, and perfumes where a sweet, fruity note is desired. This ingredient matters because it provides a natural-apple-like aroma without using actual fruit extracts, making it versatile for both food and cosmetic applications where consistent quality is needed.
Safety Profile
GENERALLY SAFEWhat Does 3-Methylbutyl valerate Smell Like?
3-Methylbutyl valerate bursts with a vibrant, juicy apple scent reminiscent of freshly cut Granny Smith apples with a hint of overripe banana. The top note is intensely sweet-fruity, evolving into a smoother, creamier heart reminiscent of apple pie filling. As it dries down, it leaves a faint waxy-green nuance like apple peel, with exceptional tenacity for a fruity ester. The dry-down maintains a candied fruit character without becoming cloying, making it unusually versatile from top to mid-note applications.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as an apple-berry modifier in the sparkling citrus opening, adding juicy realism to the synthetic fruity accord that defines this modern classic.
Forms the core of the candied apple signature, blended with watermelon and cucumber notes for a hyper-realistic fruity freshness.
Chemistry, Properties & Perfumer Guide
The Chemistry
3-Methylbutyl valerate is a branched ester formed from isopentanol and valeric acid. As a synthetic molecule, it’s typically produced via acid-catalyzed esterification. The branched 3-methylbutyl group provides greater volatility than straight-chain esters, while the valerate moiety contributes fruity-green characteristics. Unlike many fruit esters, it maintains good stability in alkaline formulations. No chiral centers are present in this molecule.
Physical & Chemical Properties
| Appearance | Colorless liquid |
|---|---|
| Boiling Point | ~198 °C (estimated) |
| Density | ~0.86 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Fruity top note enhancer |
| Functional Fragrance | 0.1-0.5% | Up to 1% | Shampoos, soaps |
Classic Accords
Tip: Stabilize in ethanol-based formulations by adding 0.1% BHT to prevent ester hydrolysis.
Alternatives & Comparisons
More green, less sweet apple character; better for fresh-cut apple effects rather than candied notes.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted under any IFRA amendment. Generally recognized as safe at typical usage levels.
RIFM Assessment
RIFM assessment complete – no significant safety concerns at current usage levels.
Sustainability
As a fully synthetic material, 3-methylbutyl valerate doesn’t require agricultural land. Production typically uses petrochemical feedstocks, though some manufacturers are exploring bio-based routes using fermentation-derived alcohols. The esterification process is atom-efficient with minimal waste streams.
Explore 3-Methylbutyl valerate
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data error
![Copper, [dihydrogen 21-carboxy-14-ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinyl-3-phorbinepropionato(2-)]-, 21-methyl phytyl ester, (E)- (CAS 15739-09-0) — Citrus Undefined Note Fragrance Ingredient](https://thegoodscents.company/wp-content/uploads/2026/04/copper-dihydrogen-21-carboxy-14-ethyl-4-8-13-18-tetramethyl-1-1-768x439.webp)
