Linalyl hexanoate (CAS 7779-23-9) — Sweet Middle Note Fragrance Ingredient
Linalyl hexanoate
CAS 7779-23-9
What Is Linalyl hexanoate?
Linalyl hexanoate is a synthetic fragrance ingredient used in perfumes and scented products. It combines floral and fruity notes, often found in body care items and air fresheners. This ester matters because it adds a smooth, sweet dimension to fragrances, helping to bridge floral and citrus accords while improving longevity.
Safety Profile
GENERALLY SAFEWhat Does Linalyl hexanoate Smell Like?
Linalyl hexanoate opens with a bright, fruity burst reminiscent of ripe pears and bergamot, softening quickly into a floral heart with lavender-like undertones. As it dries down, it reveals a creamy, slightly woody base that adds depth without heaviness. The overall effect is a polished, versatile note that blends seamlessly into both fresh and oriental compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a fruity-floral bridge between the magnolia heart and citrus top notes, adding creaminess without overpowering the delicate floral core.
Provides subtle fruity enhancement to the jasmine-quince accord while improving diffusion and longevity of the fresh floral theme.
2D Molecular Structure
SMILES: CCCCCC(=O)OC(C)(CCC=C(C)C)C=C
Chemistry, Properties & Perfumer Guide
The Chemistry
Linalyl hexanoate is an ester formed by the condensation of linalool and hexanoic acid. As a synthetic material, it’s typically produced through acid-catalyzed esterification under controlled conditions. The hexanoate ester group contributes to its moderate volatility and fruity character, while the linalool-derived structure maintains floral aspects.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Solubility | Soluble in alcohol and oils |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 8% | Floral-fruity modifier |
| Body Care | 0.5-3% | Up to 5% | Adds creaminess to floral notes |
Classic Accords
Tip: Use to soften harsh citrus top notes while adding diffusion to floral heart accords.
Alternatives & Comparisons
More floral and less fruity, better for true lavender reconstructions where hexanoate would be too sweet.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions. Approved for all categories.
RIFM Assessment
RIFM assessment confirms safe use at current industry levels.
Sustainability
As a synthetic material, linalyl hexanoate has consistent quality without natural sourcing constraints. Production typically uses green chemistry principles to minimize waste and energy use.
Explore Linalyl hexanoate
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References
- Bauer 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 7779-23-9Physical Properties
| Molecular Weight | 252.39 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 5.2🔬 PubChem |
| Boiling Point | 252 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -0.548💻 Calculated |
| SMILES | CCCCCC(=O)OC(C)(CCC=C(C)C)C=C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
Odor & Flavor
| Primary Descriptors | dryfruitygreen• leffingwell |
| Functional Groups | esteretheralkene💻 RDKit |
| “Peculiar dry-fruity and somewhat animal odor. The term "metallic" is sometimes included in the odor description of this ester, and not infrequently met with in description of Hexyl esters and hexoates. However, the author finds that the true odor of Linalyl hexoate is primarily fruity, and that the”📖 Arctander | |
| Linalyl hexanoate has a green, warm, fruity odor with an animal-like undertone and a pineapple–pear flavor.📖 Fenaroli | |
Flavor Notes (Arctander)
| “Thus, the flavor is mainly Pineapple-like, also Pear-like, and overall somewhat dry and reminiscent of the odor of canned fruits (pasteurized and devoid of fresh natural top-notes). As a flavor material, its use is somewhat restricted to Pineapple imitations and variations of "Tutti-frutti" complexe”📖 Arctander |
Regulatory Status
| FEMA Number | FEMA 2643⚖️ 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: DTXSID3052519
Physical Properties
| Molecular Weight | 252.398 g/mol🔬 EPA CompTox |
| Density | 0.889 g/cm^3🔬 EPA CTX |
| Boiling Point | 252 °C🔬 EPA CTX |
| Melting Point | -39.889 °C📊 OPERA |
| Flash Point | 96.652 °C📊 OPERA |
| Refractive Index | 1.457 Dimensionless📊 OPERA |
| Molar Volume | 284.683 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 5.876 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 5.876 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 5.876 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.51 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.003 mmHg📊 OPERA |
| Viscosity | 2.967 cP📊 OPERA |
| Surface Tension | 27.498 dyn/cm📊 OPERA |
| Thermal Conductivity | 136.53 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 | 9 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 77.541 cm^3/mol📊 OPERA |
| Polarizability | 30.74 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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