2-Hexen-1-ol, 3-methyl-, 1-acetate (CAS 341017-24-1) — Green Top to mid Note Fragrance Ingredient
2-Hexen-1-ol, 3-methyl-, 1-acetate
CAS 341017-24-1
What Is 2-Hexen-1-ol, 3-methyl-, 1-acetate?
2-Hexen-1-ol, 3-methyl-, 1-acetate is a synthetic fragrance ingredient used to add fresh, green, and fruity nuances to perfumes and scented products. You’ll encounter it in fine fragrances, body care items, and household cleaners where a crisp, natural impression is desired. This molecule matters because it mimics the scent of freshly cut grass and unripe fruits, allowing perfumers to create vibrant top notes without relying on natural extracts. Its controlled synthesis ensures consistent quality and sustainability compared to plant-derived alternatives.
Safety Profile
GENERALLY SAFEWhat Does 2-Hexen-1-ol, 3-methyl-, 1-acetate Smell Like?
This acetate bursts with a lively, green intensity reminiscent of crushed tomato leaves and freshly mowed lawns. The initial impression is sharply vegetal with a tart, almost citrus-like edge that evolves into a softer fruity character akin to green apples or unripe bananas. As it dries down, it reveals a subtle floral undertone wrapped in a clean, slightly waxy finish. The dryout maintains a transparent greenness without becoming harsh, making it excellent for modern fresh accords where clarity is key.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used in reformulations to recreate the iconic galbanum burst, contributing razor-sharp greenness that defines this legendary chypre’s opening.
Adds crisp vegetal facets to the mango and grapefruit accord, enhancing the perfume’s impression of sun-warmed riverbank greenery.
2D Molecular Structure
SMILES: CCCC(C)=CCOC(C)=O
Chemistry, Properties & Perfumer Guide
The Chemistry
This branched-chain unsaturated ester belongs to the hexenyl ester family, characterized by a six-carbon backbone with a double bond at position 2. Industrial synthesis typically proceeds via esterification of 3-methyl-2-hexen-1-ol with acetic anhydride under acidic catalysis. The (E)-isomer dominates commercial production due to its superior odor characteristics. Unlike many green-smelling compounds, it lacks the reactive aldehyde group that typically causes stability issues, making it particularly useful in alkaline formulations like soaps and detergents.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | ≈195-205 °C (estimated) |
| Density | ≈0.88-0.92 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Green accent in floral and citrus compositions |
| Functional Fragrance | 0.1-0.8% | Up to 1.5% | Freshness booster in detergents and cleaners |
Classic Accords
Tip: Use at 0.2-0.5% in citrus colognes to add dimensional greenness without overpowering the citrus.
Alternatives & Comparisons
More intense grassy character with less fruity nuance, preferred when a purely vegetative effect is desired.
Woodier green profile with better persistence, suitable for fragrances requiring longer-lasting green notes.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted under IFRA standards. General usage guidelines for ester compounds apply.
RIFM Assessment
Considered safe as used in fragrance formulations based on structural analogs and current industry data.
Sustainability
As a synthetic material, production avoids agricultural land use and seasonal variability. Typical synthesis routes employ petrochemical feedstocks, though bio-based precursors are being explored. The material’s potency at low concentrations reduces environmental load compared to some natural extracts requiring higher usage levels.
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References
- Bauer, K. et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH. ISBN 978-3-527-30364-6
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 341017-24-1Physical Properties
| Molecular Weight | 156.22 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.6🔬 PubChem |
| Boiling Point | 195 °C🔬 EPA CompTox |
| Vapor Pressure | 1.4791 mmHg @ 25°C📊 OPERA |
| Flash Point | 72.9 °C🔬 EPA CompTox |
| Involatility Index | 0.1275💻 Calculated |
| log Kp (skin permeability) | -1.807💻 Calculated |
| SMILES | CCCC(=CCOC(=O)C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Moderate💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | citrusgreen• leffingwell |
| Functional Groups | esteretheralkene💻 RDKit |
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: DTXSID90889169
Physical Properties
| Molecular Weight | 156.225 g/mol🔬 EPA CompTox |
| Density | 0.901 g/cm^3📊 OPERA |
| Boiling Point | 194.054 °C📊 OPERA |
| Melting Point | -51.081 °C📊 OPERA |
| Flash Point | 69.615 °C📊 OPERA |
| Refractive Index | 1.435 Dimensionless📊 OPERA |
| Molar Volume | 173.994 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.818 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.818 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.818 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.43 Log10 unitless📊 OPERA |
| Water Solubility | 0.007 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.792 mmHg📊 OPERA |
| Viscosity | 1.233 cP📊 OPERA |
| Surface Tension | 27.093 dyn/cm📊 OPERA |
| Thermal Conductivity | 136.6 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 | 45.42 cm^3/mol📊 OPERA |
| Polarizability | 18.006 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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