Benzyl valerate (CAS 10361-39-4) — Sweet Middle Note Fragrance Ingredient
Benzyl valerate
CAS 10361-39-4
What Is Benzyl valerate?
Benzyl valerate is a synthetic fragrance compound often found in floral and fruity perfumes. It adds a sweet, jasmine-like nuance with fruity undertones. This ester is valued for its ability to enhance floral bouquets while providing subtle fruity depth, making it popular in feminine fragrances and body care products.
Safety Profile
GENERALLY SAFEWhat Does Benzyl valerate Smell Like?
Benzyl valerate opens with a bright, almost effervescent fruity note reminiscent of ripe pears and apricots. As it evolves, a lush jasmine heart emerges, velvety and narcotic, with a creamy undertone that suggests vanilla pods. The dry-down reveals a warm, musky-woody base that lingers close to the skin. This ester behaves like a chameleon – fruity in citrus blends, floral in white flower compositions, and subtly animalic in oriental bases.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a bridge between the bergamot top and jasmine heart, adding fruity luminosity to this legendary floral bouquet.
Contributes to the aldehydic sparkle with its fruity-floral facets, enhancing the ylang-ylang without overpowering.
2D Molecular Structure
SMILES: CCCCC(=O)OCC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Benzyl valerate is an ester formed by the condensation of benzyl alcohol and valeric acid. While it occurs in trace amounts naturally, commercial production is entirely synthetic via acid-catalyzed esterification. The synthesis typically uses sulfuric acid as a catalyst at temperatures around 100-120°C. The resulting compound has a characteristic sweet, floral-fruity odor profile due to its molecular structure which combines aromatic and aliphatic components.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Solubility | Soluble in alcohol, insoluble in water |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-3% | Up to 5% | Floral modifier and fruity enhancer |
| Soaps | 0.1-1% | Up to 2% | Adds floral persistence |
Classic Accords
Tip: Use to soften harsh floral notes and add diffusion to fruity top notes.
Alternatives & Comparisons
More floral (jasmine) with less fruitiness, better for cleaner floral compositions.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted under IFRA standards. No usage limits apply.
EU Allergen Declaration
Not listed in EU allergen regulation (EC) No 1223/2009.
RIFM Assessment
RIFM evaluation found no significant safety concerns at current usage levels.
Sustainability
As a synthetic material, benzyl valerate has minimal environmental impact in production. The petrochemical feedstocks are common industrial chemicals with established supply chains. No agricultural land or rare resources required for production.
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References
- Bauer, K. et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 10361-39-4Physical Properties
| Molecular Weight | 192.25 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.4🔬 PubChem |
| Boiling Point | 250 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0331 mmHg @ 25°C📊 OPERA |
| Flash Point | 102.9 °C🔬 EPA CompTox |
| Involatility Index | 0.0026💻 Calculated |
| log Kp (skin permeability) | -1.459💻 Calculated |
| SMILES | CCCCC(=O)OCC1=CC=CC=C1🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 2.9 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | applefruitymuskytobacco• leffingwell |
| Functional Groups | esteretheraromatic💻 RDKit |
| “Powerful fruity and somewhat musky, animal-like odor. The odor is less floral and more musky than that of the iso-valerate.”📖 Arctander | |
Flavor Notes (Arctander)
| “The n-valerate is sometimes preferred for Tobacco flavoring, while the iso-valerate is generally preferred for Apple flavor compositions.”📖 Arctander |
Regulatory Status
| 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: DTXSID6065052
Physical Properties
| Molecular Weight | 192.258 g/mol🔬 EPA CompTox |
| Density | 1.003 g/cm^3📊 OPERA |
| Boiling Point | 253.661 °C📊 OPERA |
| Melting Point | -2.846 °C📊 OPERA |
| Flash Point | 104.171 °C📊 OPERA |
| Refractive Index | 1.497 Dimensionless📊 OPERA |
| Molar Volume | 191.76 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.349 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.349 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.349 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.32 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.017 mmHg📊 OPERA |
| Viscosity | 4.26 cP📊 OPERA |
| Surface Tension | 35.156 dyn/cm📊 OPERA |
| Thermal Conductivity | 140.868 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 | 1 count💻 Computed |
| Molar Refractivity | 56.108 cm^3/mol📊 OPERA |
| Polarizability | 22.243 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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