Hexyl acetate (CAS 142-92-7) — Sweet Top Note Fragrance Ingredient
Hexyl acetate
CAS 142-92-7
What Is Hexyl acetate?
Hexyl acetate is a fruity-smelling compound commonly found in perfumes, flavorings, and household products like air fresheners. It’s responsible for the sweet, pear-like aroma in many consumer goods. This ester matters because it adds naturalistic fruity top notes without being overpowering, creating balanced fragrance compositions that feel fresh and approachable.
Safety Profile
GENERALLY SAFEWhat Does Hexyl acetate Smell Like?
Hexyl acetate bursts with a crisp, juicy pear note that’s almost edible in its realism. The opening is bright and slightly green, like biting into a just-ripe Bartlett pear with a hint of apple skin freshness. As it evolves, it softens into a gentle fruity-floral character reminiscent of pear blossoms, never becoming cloying. The dry-down reveals a clean, slightly waxy undertone that blends seamlessly with other top notes.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used for its crisp pear top note that creates an immediate sense of freshness, contrasting beautifully with the citrus and green tea heart.
Provides the fruity lift that makes the citrus opening more dimensional, bridging between lemon and jasmine notes.
2D Molecular Structure
SMILES: CCCCCCOC(C)=O
Chemistry, Properties & Perfumer Guide
The Chemistry
Hexyl acetate is a straight-chain ester formed by the condensation of hexanol and acetic acid. Industrially produced via Fischer esterification with acid catalysis, it’s a workhorse fruity ester with excellent stability. The molecular simplicity (C8H16O2) gives it predictable behavior in formulations. While naturally occurring in some fruits, commercial production is entirely synthetic for consistency and purity.
Physical & Chemical Properties
| Boiling Point | 171-173 °C |
|---|---|
| Flash Point | 49 °C |
| Density | 0.873 g/cm³ |
| Refractive Index | 1.409-1.413 |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-3% | Up to 5% | Fruity top note |
| Functional Fragrance | 0.1-1% | Up to 2% | Freshness booster |
Classic Accords
Tip: Use with citrus oils to enhance juiciness without adding sweetness.
Alternatives & Comparisons
More tropical fruit character (pineapple/banana) when a richer fruity note is needed.
For stronger banana-like fruity effects in higher impact formulations.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under IFRA standards.
RIFM Assessment
RIFM assessment confirms safe use at current exposure levels.
Sustainability
As a synthetic material, hexyl acetate production has minimal environmental impact. The esterification process is atom-efficient with water as the only byproduct. Being petroleum-derived, its sustainability depends on feedstock sourcing, but requires no agricultural land use unlike natural fruit extracts.
Explore Hexyl acetate
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 142-92-7Physical Properties
| Molecular Weight | 144.21 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.4🔬 PubChem |
| Boiling Point | 168 °C🔬 EPA CompTox |
| Vapor Pressure | 1.32 mmHg @ 25°C📊 OPERA |
| Flash Point | 37.2 °C🔬 EPA CompTox |
| Involatility Index | 0.1185💻 Calculated |
| log Kp (skin permeability) | -1.876💻 Calculated |
| SMILES | CCCCCCOC(=O)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Moderate💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | applefruitypearsweet• leffingwell |
| Functional Groups | esterether💻 RDKit |
| “Sweet fruity Berry-and-Pear-like odor, milder than Amyl acetate, less natural, slightly floral and green.”📖 Arctander | |
Flavor Notes (Arctander)
| “Sweet fruity taste reminiscent of berries (e.g. Cherry) and Pear, pleasant in concentrations below 40 ppm. It finds some use in flavor compositions for imitation Apple, Cherry, Banana, Date, Hexyl esters are relatively rare in Nature, and are therefore somewhat more difficult to use in imitation fru”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 0.5079 ppm (n=17)📖 van Gemert |
Regulatory Status
| FEMA Number | FEMA 2565⚖️ FEMA GRAS |
| GRAS Status | Generally Recognized as Safe⚖️ FEMA GRAS |
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: DTXSID6022006
Physical Properties
| Molecular Weight | 144.214 g/mol🔬 EPA CompTox |
| Density | 0.873 g/cm^3🔬 EPA CTX |
| Boiling Point | 170.408 °C🔬 EPA CTX |
| Melting Point | -75.171 °C🔬 EPA CTX |
| Flash Point | 41.23 °C🔬 EPA CTX |
| Refractive Index | 1.413 Dimensionless📊 OPERA |
| Molar Volume | 164.072 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.002 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.894 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.894 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.58 Log10 unitless🔬 EPA CTX |
| Water Solubility | 0.003 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0.001 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 1.275 mmHg🔬 EPA CTX |
| Viscosity | 1.072 cP📊 OPERA |
| Surface Tension | 26.861 dyn/cm📊 OPERA |
| Thermal Conductivity | 138.148 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 | 5 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 40.887 cm^3/mol📊 OPERA |
| Polarizability | 16.209 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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