2-Hexenoic acid, 2-methyl-, methyl ester, (2E)- (CAS 16493-96-2) — Green Top Note Fragrance Ingredient
2-Hexenoic acid, 2-methyl-, methyl ester, (2E)-
CAS 16493-96-2
What Is 2-Hexenoic acid, 2-methyl-, methyl ester, (2E)-?
2-Hexenoic acid, 2-methyl-, methyl ester is a synthetic fragrance ingredient with a fruity, green aroma. It’s used in perfumes and personal care products to add fresh, slightly tart nuances. This ester provides a crisp top note that enhances fruity and floral compositions, making it valuable for creating modern, vibrant scents.
Safety Profile
GENERALLY SAFEWhat Does 2-Hexenoic acid, 2-methyl-, methyl ester, (2E)- Smell Like?
A bright, green-fruity ester with a tart apple-like freshness that evolves into a softer, slightly woody dry-down. The opening is reminiscent of unripe berries with a crisp, slightly acidic edge, while the heart reveals a delicate floralcy akin to apple blossoms. As it settles, the scent becomes more rounded with subtle musky undertones that prevent it from being overly sharp. The overall effect is like biting into a just-picked green apple with the faintest hint of tropical fruit in the background.
Chemistry, Properties & Perfumer Guide
The Chemistry
This methyl ester belongs to the α,β-unsaturated ester class, synthesized through esterification of 2-methyl-2-hexenoic acid. The (2E)-configuration gives it specific stereochemical properties that influence both its odor profile and reactivity. Industrial production typically involves acid-catalyzed reactions of the corresponding carboxylic acid with methanol. The double bond in the 2-position contributes to its fresh, green character while making it somewhat reactive to oxidation.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | Estimated 180-190°C |
| Density | Approx. 0.89-0.92 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Fresh top note modifier |
| Personal Care | 0.1-0.5% | Up to 1% | Fruity accent |
| Household Products | 0.05-0.2% | Up to 0.5% | Green freshness booster |
Classic Accords
Tip: Stabilize with antioxidants to prevent oxidative degradation of the double bond.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA standards.
RIFM Assessment
No comprehensive RIFM assessment available as of current data.
Sustainability
As a synthetic material, this ester avoids agricultural land use but depends on petrochemical feedstocks. Production likely involves standard esterification processes with moderate energy requirements. No known environmental persistence or bioaccumulation concerns have been identified for this specific compound.
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