Benzyl octanoate (CAS 10276-85-4) — Floral Middle Note Fragrance Ingredient
Benzyl octanoate
CAS 10276-85-4
What Is Benzyl octanoate?
Benzyl octanoate is a synthetic fragrance ingredient commonly found in perfumes, soaps, and cosmetics. It contributes a fruity, floral aroma reminiscent of jasmine and gardenia. This ester is valued for its ability to enhance floral bouquets while adding subtle tropical nuances to fragrance compositions.
Safety Profile
GENERALLY SAFEWhat Does Benzyl octanoate Smell Like?
Benzyl octanoate opens with a bright, fruity burst reminiscent of ripe peaches and apricots, quickly settling into a creamy floral heart that evokes jasmine petals floating in warm milk. The dry-down reveals a soft, musky undertone with a waxy texture similar to beeswax candles. Unlike sharper benzyl esters, this octanoate variant carries exceptional smoothness, blending seamlessly into floral compositions without overpowering delicate notes. Its tropical character emerges when warmed on skin, transforming from initial fruitiness to a sophisticated floral-oriental base.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a jasmine enhancer, adding creamy depth to the floral bouquet while preventing sharpness in the top notes.
Provides tropical fruit nuances that bridge the sweet vanilla base to bright floral heart notes.
Modern formulations use it to soften the aldehyde impact and add contemporary fruity-floral facets.
Contributes to the addictive gourmand-floral accord with its creamy, slightly tropical character.
Enhances the praline-jasmine accord with smooth fruity undertones that persist through dry-down.
2D Molecular Structure
SMILES: CCCCCCCC(=O)OCC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Benzyl octanoate belongs to the ester class, formed through Fischer esterification between benzyl alcohol and octanoic acid. This synthetic process yields a compound with exceptional olfactory purity compared to natural occurrences. The molecule’s eight-carbon chain provides optimal volatility for fragrance use, while the benzyl group contributes floral character. Unlike shorter-chain benzyl esters, the octanoate variant demonstrates superior stability in alkaline formulations, making it valuable for soap perfumery. Its balanced hydrophobicity (logP ~4.5) ensures good skin adherence without being overly tenacious.
Physical & Chemical Properties
| Boiling Point | 298-300 °C |
|---|---|
| Density | 0.98 g/cm³ |
| Refractive Index | 1.485-1.490 |
| Flash Point | >100 °C |
| Solubility | Insoluble in water, soluble in alcohol and oils |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 8% | Floral modifier |
| Soap | 0.5-2% | Up to 3% | Stable in alkaline conditions |
| Candles | 2-4% | Up to 6% | Good hot throw |
| Detergents | 0.1-0.5% | Up to 1% | Fruity-floral booster |
Classic Accords
Tip: Use with benzyl salicylate to extend floral character while reducing potential waxy off-notes.
Alternatives & Comparisons
More affordable with sharper jasmine character but lacks the creamy depth of octanoate.
Longer-lasting with balsamic qualities, though less fruity and more resinous.
Similar fruity profile without floral aspects, useful for pure fruit accords.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under IFRA 49th Amendment. Approved for all fragrance categories.
RIFM Assessment
RIFM evaluation confirms safe use at current industry levels with no sensitization concerns.
Sustainability
As a synthetic material, benzyl octanoate avoids agricultural impacts associated with natural extracts. Production typically uses green chemistry principles with >90% atom efficiency. The petrochemical feedstock is increasingly supplemented with bio-based octanoic acid from coconut oil derivatives, improving sustainability profiles.
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References
- Bauer et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH. ISBN 978-3-527-30364-6
- IFRA Standards Library IFRA 49th Amendment
- PubChem Compound Summary CID 7699
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID30145493
Physical Properties
| Molecular Weight | 234.339 g/mol🔬 EPA CompTox |
| Density | 0.975 g/cm^3📊 OPERA |
| Boiling Point | 293.829 °C📊 OPERA |
| Melting Point | 19.151 °C📊 OPERA |
| Flash Point | 117.881 °C📊 OPERA |
| Refractive Index | 1.492 Dimensionless📊 OPERA |
| Molar Volume | 241.28 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.694 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.694 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.694 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.38 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.001 mmHg📊 OPERA |
| Viscosity | 7.098 cP📊 OPERA |
| Surface Tension | 34.503 dyn/cm📊 OPERA |
| Thermal Conductivity | 141.758 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 | 8 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 70.007 cm^3/mol📊 OPERA |
| Polarizability | 27.753 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.
