Hex-3-enyl acetate (CAS 1708-82-3) — Green Top Note Fragrance Ingredient
Hex-3-enyl acetate
CAS 1708-82-3
What Is Hex-3-enyl acetate?
Hex-3-enyl acetate is a synthetic fragrance ingredient that mimics the fresh, green scent of cut grass and leaves. You’ll encounter it in household cleaners, personal care products, and nature-inspired perfumes. This molecule matters because it creates an instant ‘outdoor freshness’ effect, making it a workhorse in green floral and citrus fragrances where a realistic vegetative note is needed.
Safety Profile
GENERALLY SAFEWhat Does Hex-3-enyl acetate Smell Like?
A vibrant burst of freshly mown lawn with an initial sharp, almost peppery greenness that quickly settles into a juicy, dewy leaf impression. The acetate group adds a subtle fruity undertone – imagine green apples crushed with basil stems. Unlike heavier green materials, this maintains an airy quality throughout its evolution, drying down to a clean, slightly waxy green note reminiscent of cucumber skins.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to create the illusion of crushed green mango leaves, blending with citrus and water notes to form an aqueous green accord that defines this garden-inspired fragrance.
Provides the hyper-realistic tomato leaf effect in this classic, used in conjunction with galbanum to create a sun-warmed garden atmosphere.
2D Molecular Structure
SMILES: CCC=CCCOC(C)=O
Chemistry, Properties & Perfumer Guide
The Chemistry
Hex-3-enyl acetate is an ester formed from hex-3-en-1-ol (leaf alcohol) and acetic acid. While occurring naturally in trace amounts in many plants, commercial production typically involves esterification of synthetic hex-3-en-1-ol. The (Z)-isomer (cis-3-hexenyl acetate) is more common in fragrance applications due to its superior green character. Modern synthesis often employs lipase-catalyzed reactions for higher stereoselectivity.
Physical & Chemical Properties
| Boiling Point | 168-170 °C |
|---|---|
| Density | 0.896 g/cm³ |
| Refractive Index | 1.426-1.430 |
| Flash Point | 56 °C |
| Solubility | Sparingly soluble in water, miscible with alcohols |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Provides naturalistic green top notes |
| Functional Fragrance | 0.1-0.5% | Up to 1% | Adds freshness to cleaning products |
| Cosmetics | 0.2-1% | Up to 2% | Used in green/floral shampoo formulations |
Classic Accords
Tip: Use at 0.1-0.5% in citrus bases to prevent harshness while maintaining vibrancy.
Alternatives & Comparisons
The alcohol precursor, more intense but shorter-lived, better for very naturalistic green effects when realism is prioritized over longevity.
A synthetic green note with better stability in alkaline formulations, though less natural-smelling – ideal for functional products requiring pH resistance.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under IFRA 51st Amendment. Considered safe for all fragrance applications within standard usage levels.
RIFM Assessment
RIFM evaluation confirms safety at current usage levels with no sensitization concerns identified.
Sustainability
While naturally occurring, commercial production is almost entirely synthetic via petrochemical routes. Some manufacturers now offer bio-based versions using fermentation-derived hexenol. The acetate form has slightly better environmental persistence than the alcohol counterpart, requiring careful wastewater management in production facilities.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781420090866
- IFRA Standards Library (2023). 51st Amendment. IFRA Official
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPerfumer’s Notes
MW: 142.20
LogP: 1.9
Ingredient Data Sheet
CAS 1708-82-3Physical Properties
| Molecular Weight | 142.2 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.9🔬 PubChem |
| Boiling Point | 166 °C🔬 EPA CompTox |
| Vapor Pressure | 1.3183 mmHg @ 25°C📊 OPERA |
| Flash Point | 67.5 °C🔬 EPA CompTox |
| Involatility Index | 0.1191💻 Calculated |
| log Kp (skin permeability) | -2.218💻 Calculated |
| SMILES | CCC=CCCOC(=O)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Moderate💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | esteretheralkene💻 RDKit |
Sensory Thresholds
| Odor Detection Threshold | 0.21 ppm📖 van Gemert |
Physical data: PubChem (NIH/NLM), U.S. EPA CompTox Dashboard, EPA OPERA models, RDKit. Odor & flavor: Arctander (Perfume & Flavor Chemicals), Fenaroli's Handbook of Flavor Ingredients, Leffingwell. Thresholds: van Gemert (Compilations of Odour Threshold Values). Regulatory: IFRA Standards 51st, FEMA GRAS. Trade names: Surburg (Common Fragrance & Flavor Materials). All data compiled and cross-referenced for perfumertools.com.
Physicochemical Properties
DTXSID: DTXSID6047234
Physical Properties
| Molecular Weight | 142.198 g/mol🔬 EPA CompTox |
| Density | 0.909 g/cm^3📊 OPERA |
| Boiling Point | 168.981 °C📊 OPERA |
| Melting Point | -58.416 °C📊 OPERA |
| Flash Point | 64.2 °C📊 OPERA |
| Refractive Index | 1.433 Dimensionless📊 OPERA |
| Molar Volume | 157.686 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.385 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.385 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.385 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.5 Log10 unitless📊 OPERA |
| Water Solubility | 0.014 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 1.154 mmHg📊 OPERA |
| Viscosity | 1.004 cP📊 OPERA |
| Surface Tension | 26.772 dyn/cm📊 OPERA |
| Thermal Conductivity | 138.63 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 26.3 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 4 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 40.944 cm^3/mol📊 OPERA |
| Polarizability | 16.232 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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