Terpinyl butyrate (CAS 2153-28-8) — Sweet Top to middle Note Fragrance Ingredient
Terpinyl butyrate
CAS 2153-28-8
What Is Terpinyl butyrate?
Terpinyl butyrate is a synthetic fragrance ingredient found in perfumes, soaps, and air fresheners. It adds a fruity, floral, and slightly woody character to scents. This ester is valued for its ability to enhance fruity and floral notes while providing a subtle woody depth, making it versatile in both fine fragrances and household products.
Safety Profile
GENERALLY SAFEWhat Does Terpinyl butyrate Smell Like?
Terpinyl butyrate opens with a bright, fruity burst reminiscent of pear and pineapple, layered with a soft floral undertone. As it evolves, the heart reveals a gentle woodiness, like freshly cut cedar, balanced by a creamy, buttery nuance. The dry-down is clean and slightly powdery, leaving a subtle, lingering sweetness. Its multifaceted profile makes it a versatile blender, enhancing both fruity and floral compositions while adding depth.
2D Molecular Structure
SMILES: CCCC(=O)OC(C)(C)C1CCC(C)=CC1
Chemistry, Properties & Perfumer Guide
The Chemistry
Terpinyl butyrate is an ester formed by the condensation of terpineol and butyric acid. It belongs to the class of terpene esters, which are widely used in perfumery for their pleasant odors and stability. The compound is typically synthesized through acid-catalyzed esterification, yielding a product with consistent olfactory properties. Its molecular structure combines the woody characteristics of terpineol with the fruity notes of butyric acid, creating a balanced fragrance ingredient.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds fruity-floral depth |
| Soap & Detergents | 0.5-3% | Up to 5% | Stable in alkaline formulations |
| Air Fresheners | 2-8% | Up to 15% | Provides lasting freshness |
Classic Accords
Tip: Blend with citrus oils to enhance its fruity top notes or with woody materials to emphasize its dry-down.
Alternatives & Comparisons
Offers a similar profile with a more pronounced woody note, ideal for chypre and fougère accords.
Provides a softer, more floral character with less woodiness, suitable for delicate floral compositions.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply to terpinyl butyrate.
RIFM Assessment
Not currently assessed by RIFM, but similar esters are generally considered safe at typical usage levels.
Sustainability
As a synthetic ingredient, terpinyl butyrate is produced through controlled chemical processes, reducing reliance on natural resources. Its production can be optimized for minimal environmental impact, though energy use and chemical waste management should be considered.
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Perfumers Notes
Odor Profile
Balsamic, fruity, herbal, sour.
Standard Dilution
10% in DPG (standard dilution for most fragrance materials)
Ingredient Data Sheet
CAS 2153-28-8Physical Properties
| Molecular Weight | 224.34 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.2🔬 PubChem |
| Boiling Point | 244 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -1.796💻 Calculated |
| SMILES | CCCC(=O)OC(C)(C)C1CCC(=CC1)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
Odor & Flavor
| Primary Descriptors | balsamicfruityherbal• leffingwell |
| Functional Groups | esteretheralkene💻 RDKit |
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: DTXSID30862850
Physical Properties
| Molecular Weight | 224.344 g/mol🔬 EPA CompTox |
| Density | 0.93 g/cm^3📊 OPERA |
| Boiling Point | 245 °C🔬 EPA CTX |
| Melting Point | 1.647 °C📊 OPERA |
| Flash Point | 95.638 °C📊 OPERA |
| Refractive Index | 1.468 Dimensionless📊 OPERA |
| Molar Volume | 236.98 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.656 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.656 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.656 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.91 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.009 mmHg📊 OPERA |
| Viscosity | 3.346 cP📊 OPERA |
| Surface Tension | 30.415 dyn/cm📊 OPERA |
| Thermal Conductivity | 133.331 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 | 0 count💻 Computed |
| Molar Refractivity | 65.847 cm^3/mol📊 OPERA |
| Polarizability | 26.104 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.
