Cyclohexyl butyrate (CAS 1551-44-6) — Sweet Middle Note Fragrance Ingredient
Cyclohexyl butyrate
CAS 1551-44-6
What Is Cyclohexyl butyrate?
Cyclohexyl butyrate is a synthetic fragrance ingredient often used in perfumes and flavored products. It’s found in everything from fine fragrances to household cleaners. This ester compound adds a fruity, slightly woody nuance that perfumers love for its versatility in creating fresh, modern accords.
Safety Profile
GENERALLY SAFEWhat Does Cyclohexyl butyrate Smell Like?
Cyclohexyl butyrate opens with a bright burst of pineapple-like fruitiness, quickly revealing a creamy, almost milky undertone reminiscent of coconut flesh. As it evolves, the aroma develops a subtle woody backbone that prevents it from being cloying. The dry-down is surprisingly clean, leaving a faint impression of sun-warmed hay with just a whisper of floral sweetness. This ester behaves like a chameleon – fruity in citrus blends, creamy in tropical compositions, and surprisingly sophisticated when paired with woody notes.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a fruity modifier in the famous citrus-woody accord, adding subtle tropical nuance without overpowering the lemon and cedar heart.
Employed in trace amounts to enhance the marine-fruity facets, contributing to the fragrance’s watery freshness and modern appeal.
2D Molecular Structure
SMILES: CCCC(=O)OC1CCCCC1
Chemistry, Properties & Perfumer Guide
The Chemistry
Cyclohexyl butyrate is an ester formed by the condensation of cyclohexanol and butyric acid. As a synthetic material, it’s typically produced through acid-catalyzed esterification. The cyclohexyl ring provides structural rigidity that modifies the volatility and odor characteristics compared to straight-chain esters. While not found in nature, its molecular architecture shares similarities with various fruit-derived esters, explaining its fruity olfactory profile.
Physical & Chemical Properties
| Appearance | Colorless liquid |
|---|---|
| Boiling Point | Approx. 200-210 °C (estimated) |
| Density | Approx. 0.93-0.96 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Used as fruity modifier |
| Functional Fragrance | 0.1-1% | Up to 3% | Adds fruity freshness |
Classic Accords
Tip: Use small amounts to add tropical fruitiness without overwhelming citrus top notes.
Alternatives & Comparisons
More volatile with stronger fruity punch, better for top notes when a brighter effect is desired.
Longer-lasting with greener fruity character, useful when more tenacity is needed in the heart.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply to cyclohexyl butyrate (as of 2023).
RIFM Assessment
Not currently evaluated by RIFM, but structurally similar esters have good safety profiles.
Sustainability
As a synthetic material, cyclohexyl butyrate offers consistent quality without natural sourcing pressures. Production typically uses petrochemical feedstocks, though bio-based routes may become available. The ester’s potency means small quantities are effective, reducing environmental burden per unit of fragrance.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781420090869
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID8061769
Physical Properties
| Molecular Weight | 170.252 g/mol🔬 EPA CompTox |
| Density | 0.955 g/cm^3📊 OPERA |
| Boiling Point | 212.5 °C🔬 EPA CTX |
| Melting Point | -27.221 °C📊 OPERA |
| Flash Point | 78.075 °C🔬 EPA CTX |
| Refractive Index | 1.45 Dimensionless📊 OPERA |
| Molar Volume | 179.267 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.342 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.342 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.342 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.21 Log10 unitless📊 OPERA |
| Water Solubility | 0.002 mol/L📊 OPERA |
| Henry's Law Constant | 0.001 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.207 mmHg📊 OPERA |
| Viscosity | 2.012 cP📊 OPERA |
| Surface Tension | 30.883 dyn/cm📊 OPERA |
| Thermal Conductivity | 137.813 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 | 3 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 48.136 cm^3/mol📊 OPERA |
| Polarizability | 19.083 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.
