Cyclohexyl acetate (CAS 622-45-7) — Floral Top to middle Note Fragrance Ingredient
Cyclohexyl acetate
CAS 622-45-7
What Is Cyclohexyl acetate?
Cyclohexyl acetate is a synthetic fragrance ingredient commonly found in perfumes, soaps, and air fresheners. It contributes a fruity, floral aroma with woody undertones. This versatile molecule helps create fresh, clean scent profiles in everyday products while enhancing longevity.
Safety Profile
GENERALLY SAFEWhat Does Cyclohexyl acetate Smell Like?
Cyclohexyl acetate opens with a crisp, pear-like fruitiness that quickly evolves into a floral heart reminiscent of jasmine petals. The dry-down reveals a smooth woody character with hints of fresh-cut cedar. Its medium volatility creates a balanced diffusion – neither too sharp nor too fleeting – making it ideal for bridging citrus top notes with deeper base accords.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here for its crisp fruity-floral lift that complements the citrus-herbal theme while adding subtle diffusion-enhancing properties.
Provides transparent fruity facets that brighten the citrus top without competing with the tea-leaf heart accord.
2D Molecular Structure
SMILES: CC(=O)OC1CCCCC1
Chemistry, Properties & Perfumer Guide
The Chemistry
Cyclohexyl acetate belongs to the ester class, synthesized through acid-catalyzed esterification of cyclohexanol with acetic acid. This straightforward reaction yields a compound with excellent stability and purity. The cyclohexyl ring structure contributes to its moderate volatility and enhances blending capabilities with both polar and non-polar fragrance materials.
Physical & Chemical Properties
| Boiling Point | 172-174 °C |
|---|---|
| Flash Point | 62 °C |
| Density | 0.96 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds fruity-floral lift |
| Functional Products | 0.5-2% | Up to 5% | Clean scent enhancer |
Classic Accords
Tip: Use as a bridge between citrus top notes and floral heart accords for seamless transitions.
Alternatives & Comparisons
Similar profile with slightly fruitier character and better longevity, useful when more tenacity is needed.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions (48th Amendment).
RIFM Assessment
Evaluated by RIFM with no significant safety concerns at current usage levels.
Sustainability
As a synthetic material, cyclohexyl acetate avoids natural resource depletion. Modern production methods minimize energy use and byproduct formation. Its efficient odor profile allows lower usage rates compared to some natural alternatives.
Explore Cyclohexyl acetate
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References
- Bauer et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 622-45-7Physical Properties
| Molecular Weight | 142.2 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.9🔬 PubChem |
| Boiling Point | 176.7 °C🔬 EPA CompTox |
| Vapor Pressure | 11 mmHg @ 25°C📊 OPERA |
| Flash Point | 57.8 °C🔬 EPA CompTox |
| Involatility Index | 0.9942💻 Calculated |
| log Kp (skin permeability) | -2.218💻 Calculated |
| SMILES | CC(=O)OC1CCCCC1🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Moderate💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | applebananafruitysolventsweet• leffingwell |
| Functional Groups | esterether💻 RDKit |
| “Sweet-fruity, but rather chemical odor. Often described as similar to Amylacetate, but”📖 Arctander | |
| Cyclohexyl has an odor reminiscent of amyl acetate.📖 Fenaroli | |
Flavor Notes (Arctander)
| “Sweet-fruity taste, more powerful than that of Amyl acetate. Finds some use in flavor compositions, mainly for imitation Apple, Blackberry, Banana, Raspberry, and in "Tutti-frutti" flavors.”📖 Arctander |
Regulatory Status
| FEMA Number | FEMA 2349⚖️ FEMA GRAS |
| GRAS Status | Generally Recognized as Safe⚖️ FEMA GRAS |
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: DTXSID6052299
Physical Properties
| Molecular Weight | 142.198 g/mol🔬 EPA CompTox |
| Density | 0.969 g/cm^3🔬 EPA CTX |
| Boiling Point | 174.194 °C🔬 EPA CTX |
| Melting Point | -66.333 °C🔬 EPA CTX |
| Flash Point | 57.829 °C🔬 EPA CTX |
| Refractive Index | 1.444 Dimensionless📊 OPERA |
| Molar Volume | 146.28 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.64 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.354 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.354 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.47 Log10 unitless📊 OPERA |
| Water Solubility | 0.021 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 10.938 mmHg🔬 EPA CTX |
| Viscosity | 1.379 cP📊 OPERA |
| Surface Tension | 30.772 dyn/cm📊 OPERA |
| Thermal Conductivity | 135.786 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 | 1 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 38.874 cm^3/mol📊 OPERA |
| Polarizability | 15.411 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.
