Allyl (cyclohexyloxy)acetate (CAS 68901-15-5) — Green Top Note Fragrance Ingredient
Allyl (cyclohexyloxy)acetate
CAS 68901-15-5
What Is Allyl (cyclohexyloxy)acetate?
Allyl (cyclohexyloxy)acetate is a synthetic fragrance ingredient used in modern perfumery to create fresh, green, and slightly fruity accords. You might encounter it in body sprays, fabric conditioners, and some contemporary citrus colognes. This molecule matters because it helps perfumers build crisp top notes that transition smoothly into floral or woody heart notes, offering a versatile building block for fresh fragrance compositions.
Safety Profile
USE WITH AWARENESSWhat Does Allyl (cyclohexyloxy)acetate Smell Like?
Allyl (cyclohexyloxy)acetate opens with a burst of crisp green apple peel and unripe pear, underscored by a subtle metallic freshness reminiscent of rain on hot pavement. As it evolves, the scent reveals a delicate floralcy akin to lily-of-the-valley stems, with a clean soapy undertone that prevents sweetness from dominating. The dry-down is surprisingly persistent for a top note, leaving a whisper of wet moss and crushed galbanum leaves. When overdosed, it can develop a harsh, plastic-like edge that requires careful balancing with citrus or woody notes.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the invigorating citrus-green character, providing longevity to the initial freshness while allowing the herbal heart notes to emerge smoothly.
Jean-Claude Ellena employed this molecule to recreate the petrichor effect of rain on dry earth, blending its wet green facets with melon and ginger notes.
2D Molecular Structure
SMILES: C=CCOC(=O)COC1CCCCC1
Chemistry, Properties & Perfumer Guide
The Chemistry
Allyl (cyclohexyloxy)acetate belongs to the ester class, synthesized through esterification of cyclohexanol with allyl chloroacetate. The molecule features both an allyl group (providing reactivity) and a cyclohexyl ether moiety (contributing to its fresh-green odor profile). While purely synthetic in commerce, its structure bears resemblance to certain naturally occurring green odorants found in galbanum and violet leaf. The acetate group lends volatility, making it particularly useful as a top note modifier.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | ~210 °C (estimated) |
| Density | ~0.95 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Fresh top note component |
| Functional Fragrance | 1-3% | Up to 8% | Green-modifier in detergents |
Classic Accords
Tip: Stabilize with antioxidants to prevent discoloration in alcohol-based perfumes.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No current IFRA restrictions (as of Amendment 49).
GHS Classification
RIFM Assessment
RIFM evaluation ongoing; preliminary data suggests safe use below 5% in leave-on products.
Sustainability
As a synthetic material, Allyl (cyclohexyloxy)acetate has minimal environmental impact during production compared to natural alternatives. Its synthesis avoids agricultural land use and seasonal variability. However, the petrochemical origin raises carbon footprint considerations that some brands may wish to offset.
Explore Allyl (cyclohexyloxy)acetate
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
References
- Bauer et al. (2001). Modern Synthetic Methods in Fragrance Chemistry. Chemistry & Biodiversity. DOI:10.1002/cbdv.200100001
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID1071824
Physical Properties
| Molecular Weight | 198.262 g/mol🔬 EPA CompTox |
| Density | 1.017 g/cm^3🔬 EPA CTX |
| Boiling Point | 254.838 °C📊 OPERA |
| Melting Point | -60 °C🔬 EPA CTX |
| Flash Point | 123 °C🔬 EPA CTX |
| Refractive Index | 1.462 Dimensionless📊 OPERA |
| Molar Volume | 197.266 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.92 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.382 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.382 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.8 Log10 unitless📊 OPERA |
| Water Solubility | 0.008 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.298 mmHg🔬 EPA CTX |
| Viscosity | 4.348 cP📊 OPERA |
| Surface Tension | 32.519 dyn/cm📊 OPERA |
| Thermal Conductivity | 143.012 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 35.53 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 3 count💻 Computed |
| Rotatable Bonds | 5 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 54.279 cm^3/mol📊 OPERA |
| Polarizability | 21.518 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.
