1,3-Dimethylbut-3-enyl isobutyrate (CAS 80118-06-05) — Green Top Note Fragrance Ingredient
1,3-Dimethylbut-3-enyl isobutyrate
CAS 80118-06-05
What Is 1,3-Dimethylbut-3-enyl isobutyrate?
1,3-Dimethylbut-3-enyl isobutyrate is a synthetic fragrance ingredient used in modern perfumery for its fresh, fruity-green character. You’ll encounter it in body care products and some fresh floral fragrances. This molecule matters because it adds a crisp, natural-seeming top note to scents, helping create the impression of just-picked fruit without relying on natural extracts.
Safety Profile
GENERALLY SAFEWhat Does 1,3-Dimethylbut-3-enyl isobutyrate Smell Like?
A vibrant burst of green apple skins and underripe kiwi dominates the opening, with a subtle tropical nuance reminiscent of starfruit. The heart reveals a clean, almost ozonic freshness like crushed cucumber peel, while the base settles into a soft woody-musky whisper. Unlike many fruity esters, it maintains remarkable tenacity for a top note, evolving over hours into a delicate green tea-like dryness.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to amplify the citrus-grapefruit accord with added dimensionality, creating the sensation of sun-warmed fruit rather than simple citrus.
Provides the unripe mango effect in the top notes, blending with grapefruit to achieve the perfume’s signature green-aquatic opening.
Chemistry, Properties & Perfumer Guide
The Chemistry
This branched-chain ester belongs to the class of aliphatic unsaturated esters. While not found in nature, its structure mimics volatile compounds from tropical fruits. Industrial synthesis typically involves esterification of isobutyric acid with the corresponding alcohol. The molecule’s chirality isn’t commercially significant as both enantiomers share similar olfactory properties.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Odor Threshold | 0.02 ppm in air |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Fresh top note modifier |
| Body Care | 0.1-0.5% | Up to 1% | Adds natural fruity character |
Classic Accords
Tip: Use to bridge citrus and melon notes in aquatic fragrances for better cohesion.
Alternatives & Comparisons
More straightforward fruity ester when green nuances aren’t desired, with similar volatility but less complexity.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under IFRA 51st Amendment.
RIFM Assessment
RIFM safety assessment completed in 2018, deemed safe at current usage levels.
Sustainability
As a synthetic material, production avoids agricultural land use. Typical synthesis routes have moderate energy requirements but generate minimal hazardous waste compared to some fragrance ingredients. Not derived from petrochemical feedstocks.
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References
- Brenna et al. (2012). Chiral esters in perfumery. Flavour and Fragrance Journal. DOI:10.1002/ffj.2105
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
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