Octyl butyrate (CAS 110-39-4) — Sweet Top to middle Note Fragrance Ingredient
Octyl butyrate
CAS 110-39-4
What Is Octyl butyrate?
Octyl butyrate is a synthetic ester commonly found in fruit-flavored foods and perfumes. It delivers a sweet, fruity aroma reminiscent of ripe peaches and oranges. This versatile ingredient matters because it adds natural-smelling fruitiness to products without relying on actual fruit extracts, making fragrances more affordable and stable.
Safety Profile
GENERALLY SAFEWhat Does Octyl butyrate Smell Like?
Octyl butyrate bursts with a juicy, tropical fruit character – imagine biting into a perfectly ripe peach with hints of pineapple and orange marmalade. The top note is bright and slightly citrusy, evolving into a heart of creamy apricot nectar. As it dries down, it leaves a soft, waxy-fruity trail reminiscent of fruit-scented lip balm. The sweetness is candied but never cloying, with a clean finish that prevents it from becoming syrupy.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Octyl butyrate provides the luscious peach skin accord that makes this fragrance so mouthwatering. It blends seamlessly with osmanthus and coconut to create a tropical fruit fantasy.
Used here to amplify the ripe fruit character against patchouli’s darkness. The octyl butyrate adds a juicy realism that prevents the peach note from becoming too candied.
2D Molecular Structure
SMILES: CCCCCCCCOC(=O)CCC
Chemistry, Properties & Perfumer Guide
The Chemistry
Octyl butyrate is an ester formed from butyric acid and octanol. While found naturally in some fruits, commercial production typically involves acid-catalyzed esterification of the two components. The molecular structure features an eight-carbon chain (octyl group) esterified to a four-carbon butyrate moiety, creating optimal volatility for fragrance use. Its relatively simple structure makes it inexpensive to produce while delivering complex fruity olfactory effects.
Physical & Chemical Properties
| Boiling Point | 198 °C |
|---|---|
| Density | 0.865 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Fruit accord enhancer |
| Functional Fragrance | 0.1-0.5% | Up to 1% | Soap/shampoo fruity notes |
Classic Accords
Tip: Use with ionones to create more natural-smelling fruit effects.
Alternatives & Comparisons
Shorter carbon chain creates brighter, greener fruit character. Use when needing more freshness in fruit accords.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under IFRA standards.
RIFM Assessment
RIFM evaluation confirms safe use at current levels in fragrance applications.
Sustainability
As a synthetic material, octyl butyrate has minimal environmental impact in production. It reduces pressure on natural resources by providing fruit effects without requiring agricultural land. The manufacturing process uses common petrochemical feedstocks with established recycling protocols for byproducts.
Explore Octyl butyrate
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. PMID 30000922
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 110-39-4Physical Properties
| Molecular Weight | 200.32 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4.2🔬 PubChem |
| Boiling Point | 224 °C🔬 EPA CompTox |
| Flash Point | 103.3 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -0.94💻 Calculated |
| SMILES | CCCCCCCCOC(=O)CCC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
Odor & Flavor
| Primary Descriptors | fattyfloralfruitygreenherbal• leffingwell |
| Functional Groups | esterether💻 RDKit |
| Octyl butyrate has a green, herbaceous odor remotely reminiscent of orange, but more so of galbanum and parsley and a sweet, melon-like flavor.📖 Fenaroli | |
Sensory Thresholds
| Odor Detection Threshold | 1.4318 ppm (n=2)📖 van Gemert |
Regulatory Status
| 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: DTXSID9059387
Physical Properties
| Molecular Weight | 200.322 g/mol🔬 EPA CompTox |
| Density | 0.855 g/cm^3🔬 EPA CTX |
| Boiling Point | 234.55 °C🔬 EPA CTX |
| Melting Point | -55.6 °C🔬 EPA CTX |
| Flash Point | 104.175 °C🔬 EPA CTX |
| Refractive Index | 1.43 Dimensionless📊 OPERA |
| Molar Volume | 230.099 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.63 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.63 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.63 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.08 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.023 mmHg📊 OPERA |
| Viscosity | 2.282 cP📊 OPERA |
| Surface Tension | 28.22 dyn/cm📊 OPERA |
| Thermal Conductivity | 140.05 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 | 59.418 cm^3/mol📊 OPERA |
| Polarizability | 23.555 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.
