2-Octenoic acid, 4-ethyl-, (2Z)- (CAS 60308-75-0) — Green Top to middle Note Fragrance Ingredient
2-Octenoic acid, 4-ethyl-, (2Z)-
CAS 60308-75-0
What Is 2-Octenoic acid, 4-ethyl-, (2Z)-?
2-Octenoic acid, 4-ethyl-, (2Z)- is a synthetic fragrance ingredient used to add fruity, green, and slightly fatty nuances to perfumes. It’s primarily encountered in fine fragrances and personal care products where a subtle, naturalistic fruitiness is desired. This molecule helps bridge fruity and green accords, creating a more complex olfactory profile in modern perfumery.
Safety Profile
USE WITH AWARENESSWhat Does 2-Octenoic acid, 4-ethyl-, (2Z)- Smell Like?
This unsaturated ester delivers a intriguing duality – opening with a crisp, slightly tart green apple skin character that quickly softens into a rounder, almost peach-like fruitiness. The drydown reveals a subtle fatty undertone reminiscent of unripe banana peel, adding surprising depth. Its subtlety makes it excellent for blending, where it adds a naturalistic fruit lift without dominating compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
2D Molecular Structure
SMILES: CCCCC(CC)\C=C/C(O)=O
Chemistry, Properties & Perfumer Guide
The Chemistry
As a synthetic unsaturated fatty acid derivative, 2-octenoic acid features both ester and alkene functional groups that contribute to its odor profile. The Z-configuration at the double bond is crucial for its characteristic green-fruity odor. While not found in nature, its structure mimics fragments of larger fruit esters that occur naturally.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Used as supporting fruity modifier |
Classic Accords
Tip: Use at low concentrations to avoid excessive fatty character in top notes.
Alternatives & Comparisons
More intensely fruity with less fatty character, useful when a cleaner fruit effect is desired.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No current IFRA restrictions.
RIFM Assessment
No RIFM assessment currently available.
Sustainability
As a synthetic material, production is not dependent on agricultural resources. However, like all petrochemical-derived ingredients, its environmental impact depends on manufacturing processes and energy sources used.
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Physicochemical Properties
DTXSID: DTXSID90886390
Physical Properties
| Molecular Weight | 170.252 g/mol🔬 EPA CompTox |
| Density | 0.944 g/cm^3📊 OPERA |
| Boiling Point | 267.947 °C📊 OPERA |
| Melting Point | 16.587 °C📊 OPERA |
| Flash Point | 157.112 °C📊 OPERA |
| Refractive Index | 1.461 Dimensionless📊 OPERA |
| Molar Volume | 182.22 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.376 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.637 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 0.886 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.52 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.001 mmHg📊 OPERA |
| Viscosity | 4.559 cP📊 OPERA |
| Surface Tension | 30.05 dyn/cm📊 OPERA |
| Thermal Conductivity | 143.661 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 37.3 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 6 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 49.958 cm^3/mol📊 OPERA |
| Polarizability | 19.805 Å^3📊 OPERA |
Data Sources:
🔬 EPA Experimental data from U.S. EPA CompTox Chemicals Dashboard & CTX APIs. 📊 OPERA Predicted using EPA's OPERA QSAR models. 💻 Computed Calculated from SMILES using RDKit.
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