Butyl benzoate (CAS 136-60-7) — Sweet Base Note Fragrance Ingredient
Butyl benzoate
CAS 136-60-7
What Is Butyl benzoate?
Butyl benzoate is a synthetic ester used as a fixative in perfumes and flavorings. It’s found in everything from high-end fragrances to body lotions and candles. This ingredient helps scents last longer on skin while adding a subtle fruity-floral dimension. Its stability makes it valuable for formulators creating long-wearing products without compromising scent profiles.
Safety Profile
GENERALLY SAFEWhat Does Butyl benzoate Smell Like?
Butyl benzoate presents a delicate balance between sweet and functional – imagine ripe pears dipped in liquid amber with a whisper of lily-of-the-valley. The opening has a transparent fruity shimmer that quickly settles into a warm, slightly powdery floral heart. As a fixative, it doesn’t so much evolve as persist, lending a smooth, slightly waxy texture that bridges volatile top notes to deeper base materials. In drydown, it leaves a clean skin-like impression reminiscent of sun-warmed cotton.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a fixative to extend the legendary floral bouquet while adding subtle fruity undertones to the aldehydic sparkle.
Helps anchor the vanilla-amber base while smoothing the transition between citrus top notes and balsamic depths.
2D Molecular Structure
SMILES: CCCCOC(=O)C1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Butyl benzoate is an ester formed through Fischer esterification of benzoic acid and n-butanol. This simple synthesis yields a versatile ingredient with excellent stability. The aromatic benzene ring provides rigidity while the butyl chain offers flexibility, creating a molecule that interacts well with both polar and non-polar fragrance components. Its ester linkage gives characteristic fruity-floral notes while resisting hydrolysis better than shorter-chain esters.
Physical & Chemical Properties
| Boiling Point | 242-243°C |
|---|---|
| Density | 0.992 g/cm³ |
| Refractive Index | 1.4960 |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 2-5% | Up to 10% | Fixative for florals and orientals |
| Body Care | 0.5-3% | Up to 5% | Adds lasting power to lotions |
| Candles | 3-8% | Up to 15% | Improves scent throw |
Classic Accords
Tip: Use as a fixative in floral compositions where you want to extend longevity without adding noticeable character.
Alternatives & Comparisons
When more floral character is desired with similar fixative properties.
For a lighter, more ethereal fruity effect in top notes.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted under IFRA standards.
RIFM Assessment
RIFM considers butyl benzoate safe for current fragrance use levels.
Sustainability
As a synthetic material, butyl benzoate has consistent quality without agricultural variability. Production typically uses petrochemical feedstocks, though bio-based routes from fermentation-derived butanol are being explored. Its efficiency as a fixative means relatively small amounts are needed compared to natural alternatives, reducing overall environmental impact.
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References
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 136-60-7Physical Properties
| Molecular Weight | 178.23 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.8🔬 PubChem |
| Boiling Point | 250 °C🔬 EPA CompTox |
| Vapor Pressure | 0.01 mmHg @ 25°C📊 OPERA |
| Flash Point | 107.2 °C🔬 EPA CompTox |
| Involatility Index | 0.0008💻 Calculated |
| log Kp (skin permeability) | -1.089💻 Calculated |
| SMILES | CCCCOC(=O)C1=CC=CC=C1🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 4 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | balsamicfruityspicywoody• leffingwell |
| Functional Groups | esteretheraromatic💻 RDKit |
| “Very mild floral-balsamic odor with woody-spicy undertone.”📖 Arctander | |
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: DTXSID8040694
Physical Properties
| Molecular Weight | 178.231 g/mol🔬 EPA CompTox |
| Density | 1.002 g/cm^3🔬 EPA CTX |
| Boiling Point | 248.675 °C🔬 EPA CTX |
| Melting Point | -21.5 °C🔬 EPA CTX |
| Flash Point | 107.617 °C🔬 EPA CTX |
| Refractive Index | 1.499 Dimensionless📊 OPERA |
| Molar Volume | 176.847 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.791 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 3.719 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.719 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.72 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 0.023 mmHg🔬 EPA CTX |
| Viscosity | 4.149 cP📊 OPERA |
| Surface Tension | 35.039 dyn/cm📊 OPERA |
| Thermal Conductivity | 140.996 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 | 4 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 51.925 cm^3/mol📊 OPERA |
| Polarizability | 20.585 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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