1-Octen-3-yl acetate (CAS 2442-10-6) — Woody Heart Note Fragrance Ingredient
1-Octen-3-yl acetate
CAS 2442-10-6
What Is 1-Octen-3-yl acetate?
1-Octen-3-yl acetate is a synthetic aroma chemical that mimics the earthy, mushroom-like scent found in truffles and some wild mushrooms. It’s used in niche perfumery and gourmand fragrances to add a naturalistic depth. This ingredient matters because it provides a unique bridge between foodie and forest accords, creating perfumes that smell intriguingly edible yet mysterious.
Safety Profile
GENERALLY SAFEWhat Does 1-Octen-3-yl acetate Smell Like?
Opens with a damp forest floor pungency – like rain on decaying oak leaves with an underlying metallic tang. The acetate group tempers the raw mushroom character with a fleeting fruity lift. As it dries, it evolves into a savory umami richness reminiscent of porcini broth, leaving a faintly animalic trail that blends seamlessly with woody bases.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used at 0.05% to create the illusion of freshly unearthed truffles, blending with cardamom and vetiver for a hauntingly edible luxury scent.
Provides the core mushroom accord at 0.2%, amplified by birch tar and damp soil notes for an avant-garde forest experience.
2D Molecular Structure
SMILES: CCCCCC(OC(C)=O)C=C
Chemistry, Properties & Perfumer Guide
The Chemistry
An ester of 1-octen-3-ol (the ‘mushroom alcohol’), synthesized via acetylation of the naturally occurring alcohol. The eight-carbon chain provides optimal volatility for perfumery use while the enol acetate structure delivers both earthy and fruity nuances. Chiral versions exist but the racemic mixture is typically used commercially.
Physical & Chemical Properties
| Boiling Point | 198 °C |
|---|---|
| Density | 0.89 g/cm³ |
| Refractive Index | 1.428 |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.01-0.1% | Up to 0.2% | Used for truffle/mushroom effects |
| Functional Fragrance | 0.001-0.01% | Trace amounts | Adds savory depth to air fresheners |
Classic Accords
Tip: Stabilize with antioxidants as the double bond can oxidize over time.
Alternatives & Comparisons
The precursor alcohol with sharper fungal character, used when a rawer mushroom note is desired.
For more roasted/gourmand mushroom effects with coffee-like nuances
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted but recommended max 0.1% in leave-on products due to sensitization potential (IFRA 49th Amendment).
GHS Classification
RIFM Assessment
RIFM evaluation complete – safe at current use levels (Fragrance Material Review 106).
Sustainability
Synthesized from petrochemical feedstocks but used in such minute quantities that environmental impact is negligible. No known natural source, making this a rare case where synthetic production doesn’t displace a natural counterpart.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press.
- PubChem CID 5365210 PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 2442-10-6Physical Properties
| Molecular Weight | 170.25 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.1🔬 PubChem |
| Boiling Point | 189 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -1.538💻 Calculated |
| SMILES | CCCCCC(C=C)OC(=O)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
Odor & Flavor
| Primary Descriptors | freshfruityherbalmushroom• leffingwell |
| Functional Groups | esteretheralkene💻 RDKit |
| “Fresh-herbaceous, fruity-minty odor, recalling the topnotes in Lavender and Lavandin (and many other herbaceous essential oils) less warm and not buttery as the alcohol, more citrusy, and almost geranium-like in topnote. Some observers find a rosy note in this ester.”📖 Arctander | |
Sensory Thresholds
| Odor Detection Threshold | 0.09 ppm📖 van Gemert |
Regulatory Status
| IFRA Listed | Yes — see IFRA Standards for category limits⚖️ IFRA 51 |
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: DTXSID9051903
Physical Properties
| Molecular Weight | 170.252 g/mol🔬 EPA CompTox |
| Density | 0.881 g/cm^3📊 OPERA |
| Boiling Point | 189.5 °C🔬 EPA CTX |
| Melting Point | -51.304 °C📊 OPERA |
| Flash Point | 76.991 °C📊 OPERA |
| Refractive Index | 1.431 Dimensionless📊 OPERA |
| Molar Volume | 192.555 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.725 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.725 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.725 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.84 Log10 unitless📊 OPERA |
| Water Solubility | 0.003 mol/L📊 OPERA |
| Henry's Law Constant | 0.001 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.514 mmHg📊 OPERA |
| Viscosity | 1.428 cP📊 OPERA |
| Surface Tension | 27.002 dyn/cm📊 OPERA |
| Thermal Conductivity | 136.092 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 | 6 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 49.836 cm^3/mol📊 OPERA |
| Polarizability | 19.757 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.
