Isoeugenyl acetate (CAS 93-29-8) — Spicy Middle Note Fragrance Ingredient
Isoeugenyl acetate
CAS 93-29-8
What Is Isoeugenyl acetate?
Isoeugenyl acetate is a synthetic fragrance compound that adds a warm, spicy-clove character to perfumes and scented products. You’ll encounter it in oriental fragrances, spicy candles, and some men’s grooming products. This molecule matters because it provides a smoother, more rounded clove-like note than raw eugenol, with better blending properties and less skin sensitivity risk.
Safety Profile
USE WITH AWARENESSWhat Does Isoeugenyl acetate Smell Like?
Isoeugenyl acetate opens with a rich, warm clove character that’s softer and more honeyed than pure eugenol. The initial spice evolves into a sweet, balsamic heart with subtle vanilla undertones, recalling carnation petals and aged pipe tobacco. In drydown, it leaves a polished woody-amber trail that harmonizes beautifully with oriental bases. Unlike harsher spice notes, it maintains a velvety texture throughout evaporation, making it invaluable for creating sophisticated spice accords.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a key spice modifier in the legendary oriental, contributing to its narcotic clove-cinnamon accord without overpowering the floral heart.
Provides a polished spice counterpoint to the lavender-citrus opening in this proto-fougère masterpiece.
2D Molecular Structure
SMILES: COC1=C(OC(C)=O)C=CC(C=CC)=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Isoeugenyl acetate is the acetylated derivative of isoeugenol, belonging to the phenylpropanoid class of aroma chemicals. Synthesized via acetylation of isoeugenol with acetic anhydride, it exhibits greater stability than its parent phenol. The molecule exists as cis/trans isomers, with the trans form being more common in fragrance applications. This modification reduces skin sensitization potential while maintaining the desirable spice character.
Physical & Chemical Properties
| Boiling Point | 282-284 °C (estimated) |
|---|---|
| Density | 1.087 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Spice modifier in oriental bases |
| Home Care | 0.5-1.5% | Up to 2% | Warmth in spice-themed products |
Classic Accords
Tip: Use with ionones to create carnation effects or with woody ambers to deepen spice accords.
Alternatives & Comparisons
More direct clove character with less sweetness; useful when sharper spice definition is needed.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No current restrictions under IFRA 51st Amendment. Recommended maximum 5% in leave-on products.
EU Allergen Declaration
Not listed in EU Annex III allergen declaration requirements.
GHS Classification
RIFM Assessment
RIFM-reviewed with established safe use levels in current applications.
Sustainability
As a synthetic material, isoeugenyl acetate avoids the agricultural impacts of natural clove oil production. Modern synthesis routes achieve high atom economy, and the material’s potency means low usage rates minimize environmental load. Some manufacturers now offer bio-based versions derived from lignin byproducts.
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References
- Bickers et al. (2005). A toxicologic and dermatologic assessment of cinnamyl alcohol, cinnamaldehyde and cinnamic acid. JACT. PMID 16422209
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID0052625
Physical Properties
| Molecular Weight | 206.241 g/mol🔬 EPA CompTox |
| Density | 1.036 g/cm^3📊 OPERA |
| Boiling Point | 280.839 °C📊 OPERA |
| Melting Point | 49.923 °C📊 OPERA |
| Flash Point | 128.54 °C📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.654 dimensionless💻 Computed |
| Water Solubility | 0.001 mol/L📊 OPERA |
Transport Properties
| Vapor Pressure | 0.001 mmHg📊 OPERA |
| Viscosity | 5.527 cP📊 OPERA |
| Surface Tension | 34.319 dyn/cm📊 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 | 3 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
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.
