Linalyl benzoate (CAS 126-64-7) — Floral Middle Note Fragrance Ingredient
Linalyl benzoate
CAS 126-64-7
What Is Linalyl benzoate?
Linalyl benzoate is a synthetic fragrance ingredient commonly found in perfumes and personal care products. It contributes a soft, floral character with subtle fruity undertones. This ester is valued for its ability to enhance floral compositions while adding diffusion and longevity to fragrances.
Safety Profile
GENERALLY SAFEWhat Does Linalyl benzoate Smell Like?
Linalyl benzoate presents a delicate floral bouquet reminiscent of lily-of-the-valley with a whisper of ripe peaches. The top note carries a bright, slightly citrusy freshness that quickly settles into a heart of powdery florals. As it dries down, it reveals a soft balsamic warmth with hints of honeyed sweetness. The overall effect is elegant and diffusive, blending seamlessly with other floral notes while adding subtle fruity nuances.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a floral modifier to soften the aldehydic bouquet and enhance the ylang-ylang heart notes.
Adds subtle fruity facets to the rose-jasmine heart while improving longevity.
Contributes to the powdery floral character and helps blend carnation with rose notes.
Enhances the lily-of-the-valley accord with its natural floral-fruity character.
Used as a floral bridge between rose and lily notes, adding diffusion.
2D Molecular Structure
SMILES: CC(C)=CCCC(C)(OC(=O)C1=CC=CC=C1)C=C
Chemistry, Properties & Perfumer Guide
The Chemistry
Linalyl benzoate is an ester formed by the condensation of linalool and benzoic acid. While it occurs naturally in some essential oils, commercial production is typically synthetic for consistency. The esterification process yields a compound with excellent stability in alkaline conditions. Its molecular structure allows for good tenacity while maintaining a light, diffusive character.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | ~300 °C (estimated) |
| Density | ~0.95 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Floral modifier |
| Soap | 0.5-2% | Up to 3% | Adds floral character |
| Detergents | 0.1-0.5% | Up to 1% | Floral background |
| Candles | 2-4% | Up to 6% | Floral-fruity note |
Classic Accords
Tip: Use to soften harsh floral notes and add diffusion to floral compositions.
Alternatives & Comparisons
More citrusy and fresh, suitable when a brighter top note is desired.
More balsamic and tenacious, better for oriental compositions.
More rosy and honeyed, ideal for rose-heavy florals.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions. Approved for use in all categories.
RIFM Assessment
Considered safe for use in fragrance compositions based on RIFM assessments.
Sustainability
As a synthetic material, linalyl benzoate production avoids natural resource depletion. Modern synthesis methods aim for energy efficiency and reduced waste. The compound’s stability contributes to product longevity, reducing the need for frequent reapplication.
Explore Linalyl benzoate
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References
- Arctander, S. (1969). Perfume and Flavor Chemicals. Montclair, NJ.
- Bauer, K. et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH.
- IFRA Standards Library IFRA Standards
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 126-64-7Physical Properties
| Molecular Weight | 258.35 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 5🔬 PubChem |
| Boiling Point | 263 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -0.726💻 Calculated |
| SMILES | CC(=CCCC(C)(C=C)OC(=O)C1=CC=CC=C1)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
Odor & Flavor
| Primary Descriptors | citrusfloralfruity• leffingwell |
| Functional Groups | esteretheralkenearomatic💻 RDKit |
| “Balsamic-floral, Bergamot-fruity odor of good tenacity. The odor varies considerably according to the method of production of this ester. Above description is based upon the "Roche"-processed material, while older methods yield esters of far greater sweetness, less tenacity and more similarity to Linalyl acetate, often with side-notes of Methylbenzoate.”📖 Arctander | |
| Linalyl benzoate has a heavy odor reminiscent of genet, bergamot and lily.📖 Fenaroli | |
Flavor Notes (Arctander)
| “This ester finds some use in flavor compositions for imitation Peach, Plum, Blackcurrant and other berries, fruit complexes or Citrus flavors. The concentration in the finished product will normally be about 0.3 to 2 ppm.”📖 Arctander |
Regulatory Status
| FEMA Number | FEMA 2638⚖️ FEMA GRAS |
| GRAS Status | Generally Recognized as Safe⚖️ FEMA GRAS |
| IOFI Classification | Nature Identical📖 Fenaroli |
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: DTXSID2047191
Physical Properties
| Molecular Weight | 258.361 g/mol🔬 EPA CompTox |
| Density | 0.989 g/cm^3🔬 EPA CTX |
| Boiling Point | 263 °C🔬 EPA CTX |
| Melting Point | 9.386 °C📊 OPERA |
| Flash Point | 154.781 °C📊 OPERA |
| Refractive Index | 1.512 Dimensionless📊 OPERA |
| Molar Volume | 264.445 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 5.314 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 5.314 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 5.314 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.42 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg📊 OPERA |
| Viscosity | 5.606 cP📊 OPERA |
| Surface Tension | 32.378 dyn/cm📊 OPERA |
| Thermal Conductivity | 131.652 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 | 79.313 cm^3/mol📊 OPERA |
| Polarizability | 31.442 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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