Cyclohexyl phenylacetate (CAS 42288-75-5) — Sweet Middle Note Fragrance Ingredient
Cyclohexyl phenylacetate
CAS 42288-75-5
What Is Cyclohexyl phenylacetate?
Cyclohexyl phenylacetate is a synthetic fragrance ingredient commonly found in perfumes and scented products. It contributes a sweet, floral-woody character that enhances various fragrance compositions. This ester is valued for its ability to add depth and longevity to scents while maintaining a clean, modern profile.
Safety Profile
GENERALLY SAFEWhat Does Cyclohexyl phenylacetate Smell Like?
Cyclohexyl phenylacetate unfolds with an initial burst of sweet, honeyed florals reminiscent of orange blossoms dipped in warm wax. As it evolves, the scent reveals a creamy, slightly powdery heart with nuances of dried rose petals and a whisper of almond. The dry-down settles into a soft woody-musk foundation with lingering traces of vanilla-like sweetness. Its odor profile bridges floral and gourmand characteristics, making it versatile for both feminine and unisex compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a floral enhancer to amplify the bouquet effect, adding honeyed depth to the ylang-ylang and damask rose heart notes.
Provides a smooth, powdery-sweet bridge between the iris and praline notes, creating the signature gourmand-floral accord.
2D Molecular Structure
SMILES: O=C(CC1=CC=CC=C1)OC1CCCCC1
Chemistry, Properties & Perfumer Guide
The Chemistry
Cyclohexyl phenylacetate is an ester formed by the condensation of phenylacetic acid with cyclohexanol. Industrially produced through acid-catalyzed esterification, this synthetic molecule lacks natural counterparts. The cyclohexyl moiety contributes to its moderate volatility while the phenylacetate group delivers characteristic sweet-floral notes. Its molecular structure allows for good stability in alkaline conditions, making it suitable for soap and detergent applications.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | Approx. 300°C (estimated) |
| Density | ~1.03 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Floral modifier |
| Soap | 0.5-2% | Up to 3% | Stable in alkaline media |
Classic Accords
Tip: Use with ionones to create sophisticated powdery-floral effects.
Alternatives & Comparisons
Offers similar sweet-floral character but with greater tenacity, preferred for heavy oriental compositions.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply (as of 2023).
RIFM Assessment
Currently under review by RIFM (2023). Preliminary data suggests low sensitization potential.
Sustainability
As a purely synthetic material, cyclohexyl phenylacetate avoids natural resource depletion concerns. Production typically uses petrochemical feedstocks, though newer green chemistry routes are being explored. Its efficient synthesis and stability contribute to reduced environmental impact compared to some natural alternatives.
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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 42288-75-5Physical Properties
| Molecular Weight | 218.29 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.5🔬 PubChem |
| Boiling Point | 275 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0013 mmHg @ 25°C📊 OPERA |
| Flash Point | 136.1 °C🔬 EPA CompTox |
| Involatility Index | 0.0001💻 Calculated |
| log Kp (skin permeability) | -1.547💻 Calculated |
| SMILES | C1CCC(CC1)OC(=O)CC2=CC=CC=C2🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 5.9 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | fruityherbalhoneysweet• leffingwell |
| Functional Groups | esteretheraromatic💻 RDKit |
| “Herbaceous-green, very tenacious odor with sweet-honey-waxy and somewhat Chrysanthemum-like notes.”📖 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: DTXSID4068379
Physical Properties
| Molecular Weight | 218.296 g/mol🔬 EPA CompTox |
| Density | 1.059 g/cm^3📊 OPERA |
| Boiling Point | 296.595 °C📊 OPERA |
| Melting Point | 42.125 °C📊 OPERA |
| Flash Point | 141.245 °C📊 OPERA |
| Refractive Index | 1.528 Dimensionless📊 OPERA |
| Molar Volume | 206.651 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.865 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.865 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.865 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.45 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.001 mmHg📊 OPERA |
| Viscosity | 8.113 cP📊 OPERA |
| Surface Tension | 38.305 dyn/cm📊 OPERA |
| Thermal Conductivity | 138.025 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 | 1 count💻 Computed |
| Molar Refractivity | 63.588 cm^3/mol📊 OPERA |
| Polarizability | 25.208 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.
