Linalyl butyrate (CAS 78-36-4) — Floral Top to Middle Note Fragrance Ingredient
Linalyl butyrate
CAS 78-36-4
What Is Linalyl butyrate?
Linalyl butyrate is a synthetic fragrance compound that mimics the fruity, floral aspects of linalool with added creamy richness. It’s commonly found in soaps, candles, and mid-range perfumes where a cost-effective floral-fruity note is desired. This ester matters because it provides perfumers with a stable, long-lasting alternative to natural linalool derivatives, allowing for consistent scent profiles in mass-market products while avoiding the volatility and sourcing challenges of natural ingredients.
Safety Profile
GENERALLY SAFEWhat Does Linalyl butyrate Smell Like?
Linalyl butyrate opens with a burst of ripe pear and bergamot, quickly settling into a heart of candied lavender and peach skin. The butyrate moiety lends a creamy, almost butterscotch-like depth that distinguishes it from linalool. As it dries down, it maintains remarkable tenacity for a top note, leaving behind a soft floral-powdery trail reminiscent of heliotrope petals dusted with vanilla sugar. The overall effect is like biting into a lavender-infused macaron – simultaneously gourmand and floral, with a sophisticated sweetness that avoids cloying.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the citrus-floral transition, providing a bridge between bergamot and lavender that lasts through the heart phase.
Adds fruity depth to the crisp verbena, creating a lemon-meringue effect in this refreshing body care line.
Contributes to the signature ‘clean yet fruity’ accord that made this fragrance revolutionary in the fresh floral category.
Used sparingly to round out the sharp edges of lavender absolute, creating a more approachable luxury interpretation.
Provides subtle fruity facets that prevent the citrus-green tea accord from becoming too austere.
2D Molecular Structure
SMILES: CCCC(=O)OC(C)(CCC=C(C)C)C=C
Chemistry, Properties & Perfumer Guide
The Chemistry
Linalyl butyrate is an ester formed by the condensation of linalool and butyric acid. While it occurs in trace amounts in some citrus oils, commercial production is entirely synthetic via acid-catalyzed esterification. The molecule’s chiral center at C3 means optical isomers exist, though fragrance applications typically use the racemic mixture. Its relatively large ester group (compared to linalyl acetate) increases molecular weight and decreases volatility, explaining its longer-lasting scent profile. Modern production often employs enzymatic esterification for higher purity and greener chemistry credentials.
Physical & Chemical Properties
| Boiling Point | 232 °C |
|---|---|
| Density | 0.89 g/cm³ |
| Refractive Index | 1.446 |
| Flash Point | 100 °C |
| Solubility | Insoluble in water, soluble in alcohol |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Used as floral-fruity modifier |
| Soap | 0.5-1.5% | Up to 2% | Stable in alkaline formulations |
| Candles | 2-4% | Up to 6% | Good hot throw performance |
| Body Care | 0.2-1% | Up to 1.5% | Skin-safe at these levels |
Classic Accords
Tip: Use to ‘fluff up’ harsh lavender notes or add fruity dimension to white musks.
Alternatives & Comparisons
More volatile with sharper floral character; better for true top notes but lacks the fruity depth.
The parent alcohol; more versatile but less tenacious and lacking the gourmand facets.
Even fruitier with tropical nuances, though less stable in alkaline conditions.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted under IFRA standards. Listed as safe for all applications at current usage levels.
RIFM Assessment
RIFM has evaluated linalyl butyrate as safe for current fragrance use patterns based on existing data.
Sustainability
As a synthetic material, linalyl butyrate avoids agricultural land use associated with natural linalool production. Modern production methods increasingly use bio-based linalool from pinene or citrus waste streams, reducing petroleum dependence. The ester’s stability means less product reformulation is needed compared to natural alternatives, reducing manufacturing waste.
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References
- Bauer et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH. ISBN 9783527619580
- IFRA Standards Library (2023). Linalyl Derivatives. IFRA Standards
- Sell, C. (2019). Chemistry and the Sense of Smell. Wiley. ISBN 9781118794964
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 78-36-4Physical Properties
| Molecular Weight | 224.34 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4.1🔬 PubChem |
| Boiling Point | 220 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -1.157💻 Calculated |
| SMILES | CCCC(=O)OC(C)(CCC=C(C)C)C=C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
Odor & Flavor
| Primary Descriptors | fruityhoneypeachpearplumsweet• leffingwell |
| Functional Groups | esteretheralkene💻 RDKit |
| “Heavy-fruity, sweet and Bergamot-like, Pear-like odor of moderate tenacity.”📖 Arctander | |
| Linalyl butyrate has a fruity note with a bergamot-like undertone. The flavor is reminiscent of certain types of honey on dilution. It is moderately stable.📖 Fenaroli | |
Flavor Notes (Arctander)
| “Sweet-fruity, Plum-and-Honey-like taste with dry-fruity notes. It is furthermore used in flavor compositions for imitation Banana, Butter, Grape, Honey, Loganberry, Melon, Peach, Pear, Pineapple, Plum, and in Caramel flavors, Citrus blends, fruit complexes, Spice blends, Nut flavors, Rose or other f”📖 Arctander |
Regulatory Status
| FEMA Number | FEMA 2639⚖️ 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: DTXSID20861635
Physical Properties
| Molecular Weight | 224.344 g/mol🔬 EPA CompTox |
| Density | 0.905 g/cm^3📊 OPERA |
| Boiling Point | 221 °C🔬 EPA CTX |
| Melting Point | -40.431 °C📊 OPERA |
| Flash Point | 102.886 °C📊 OPERA |
| Refractive Index | 1.455 Dimensionless📊 OPERA |
| Molar Volume | 251.67 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.715 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.715 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.715 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.69 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.021 mmHg📊 OPERA |
| Viscosity | 2.118 cP📊 OPERA |
| Surface Tension | 27.139 dyn/cm📊 OPERA |
| Thermal Conductivity | 132.726 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 | 7 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 68.275 cm^3/mol📊 OPERA |
| Polarizability | 27.066 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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