Benzyl hexanoate (CAS 6938-45-0) — Sweet Middle Note Fragrance Ingredient
Benzyl hexanoate
CAS 6938-45-0
What Is Benzyl hexanoate?
Benzyl hexanoate is a synthetic ester commonly used in perfumery for its fruity, floral aroma. You’ll encounter it in body care products and fine fragrances, particularly those with tropical or jasmine-like profiles. This ingredient matters because it adds naturalistic fruity nuances while being more stable than some natural alternatives, allowing fragrances to maintain their character longer on skin.
Safety Profile
GENERALLY SAFEWhat Does Benzyl hexanoate Smell Like?
Benzyl hexanoate opens with a burst of ripe pear and banana compote, like fruit preserves simmering with honey. The heart reveals a floral dimension reminiscent of night-blooming jasmine, with a subtle creamy undertone. As it dries down, it leaves a soft, slightly waxy fruitiness that blends seamlessly with woody base notes. The evolution is linear but pleasant, maintaining its fruity-floral character for hours before fading to a faint, sweet skin scent.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a tropical fruit enhancer, providing the authentic ripe mango and passionfruit accents that define this vacation-inspired scent.
Adds a creamy, lactonic facet to the jasmine absolute, making the floral note more approachable and subtly gourmand.
2D Molecular Structure
SMILES: CCCCCC(=O)OCC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Benzyl hexanoate is an ester formed from benzyl alcohol and hexanoic acid. This synthetic compound doesn’t occur naturally but mimics fruity esters found in various plants. Industrial synthesis typically involves acid-catalyzed esterification. The molecule’s relatively simple structure contributes to its good stability and moderate volatility, making it useful as a middle note in fragrance compositions.
Physical & Chemical Properties
| Boiling Point | ~250 °C |
|---|---|
| Density | ~0.98 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Fruity-floral modifier |
| Body Care | 0.5-2% | Up to 3% | Adds tropical character |
Classic Accords
Tip: Use to bridge floral heart notes and fruity top notes for seamless transitions.
Alternatives & Comparisons
More floral (jasmine-like) with less fruitiness, better for classical white flower compositions.
Brighter, greener fruity note that works well in citrus and apple accords.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions. Compliant under all categories.
EU Allergen Declaration
Not listed in EU allergen regulation.
RIFM Assessment
RIFM assessment confirms safe use at current industry levels.
Sustainability
As a synthetic material, benzyl hexanoate has consistent quality without natural variation. Production is energy-intensive but avoids agricultural land use. No known environmental accumulation concerns at usage levels.
Explore Benzyl hexanoate
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References
- PubChem Compound Summary for Benzyl hexanoate PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 6938-45-0Physical Properties
| Molecular Weight | 206.28 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.9🔬 PubChem |
| Boiling Point | 271 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0316 mmHg @ 25°C📊 OPERA |
| Flash Point | 105.3 °C🔬 EPA CompTox |
| Involatility Index | 0.0024💻 Calculated |
| log Kp (skin permeability) | -1.189💻 Calculated |
| SMILES | CCCCCC(=O)OCC1=CC=CC=C1🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 3.2 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | apricotfloralfruitygreenpeachpineapplesweettropical• leffingwell |
| Functional Groups | esteretheraromatic💻 RDKit |
| “Sweet, mild-fruit, slightly green odor, rem-”📖 Arctander | |
| Benzyl hexanoate has a sweet, mild-fruity, slightly green odor, reminiscent of apricot, but with a distinctly floral note. It is used in imitation pineapple and apricot flavors.📖 Fenaroli | |
Flavor Notes (Arctander)
| “Used in flavor compositions, mainly as a modifier, in imitation Pineapple, Apricot, etc. and in Tutti-frutti flavor.”📖 Arctander |
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: DTXSID60219474
Physical Properties
| Molecular Weight | 206.285 g/mol🔬 EPA CompTox |
| Density | 0.985 g/cm^3🔬 EPA CTX |
| Boiling Point | 269.861 °C📊 OPERA |
| Melting Point | 2.236 °C📊 OPERA |
| Flash Point | 109.086 °C📊 OPERA |
| Refractive Index | 1.495 Dimensionless📊 OPERA |
| Molar Volume | 208.267 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.941 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.941 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.941 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.91 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.013 mmHg📊 OPERA |
| Viscosity | 6.285 cP📊 OPERA |
| Surface Tension | 35.07 dyn/cm📊 OPERA |
| Thermal Conductivity | 140.796 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 | 1 count💻 Computed |
| Molar Refractivity | 60.741 cm^3/mol📊 OPERA |
| Polarizability | 24.08 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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