Isoeugenyl phenylacetate (CAS 120-24-1) — Sweet Heart to base Note Fragrance Ingredient
Isoeugenyl phenylacetate
CAS 120-24-1
What Is Isoeugenyl phenylacetate?
Isoeugenyl phenylacetate is a synthetic fragrance ingredient used to add warm, spicy floral notes to perfumes and scented products. You’ll find it in everything from fine fragrances to candles and soaps. This molecule is prized for its ability to mimic natural floral aromas while providing superior stability in formulations. It helps create long-lasting, complex scent profiles that evolve beautifully on the skin.
Safety Profile
USE WITH AWARENESSWhat Does Isoeugenyl phenylacetate Smell Like?
Isoeugenyl phenylacetate unfolds with an initial burst of clove-like spice that quickly softens into a velvety floral heart reminiscent of carnations and lilies. The dry-down reveals a honeyed sweetness with subtle woody undertones, creating an impression of aged rose petals preserved in amber. Its tenacious character makes it particularly valuable in oriental and floral compositions, where it adds depth and persistence without overwhelming other notes. The scent profile bridges the gap between spicy eugenol derivatives and softer floral esters.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a spicy floral bridge between the carnation top notes and vanilla base, contributing to the perfume’s legendary warmth and longevity.
Adds a sophisticated spicy dimension to the tuberose absolute, preventing the floral notes from becoming overly sweet or cloying.
Provides the carnation-like spice that forms the heart of this modern masculine fragrance, complementing the pepper and tobacco notes.
Contributes to the dramatic floral oriental character, helping create the signature ‘purple floral’ effect that made this fragrance iconic.
Used in modern formulations to reinforce the spicy floral facets that balance the lavender and vanilla in this classic fougère.
2D Molecular Structure
SMILES: COC1=C(OC(=O)CC2=CC=CC=C2)C=CC(C=CC)=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Isoeugenyl phenylacetate is an ester formed from isoeugenol and phenylacetic acid. This synthetic molecule belongs to the phenylpropanoid class, sharing structural similarities with naturally occurring spicy floral compounds. The synthesis typically involves Fischer esterification under acidic conditions. The molecule’s aromatic ring system and ester linkage contribute to its stability and tenacious scent profile. While not found in nature, it mimics the olfactory properties of compounds found in carnations and lilies. The specific positioning of the methoxy group on the aromatic ring creates its distinctive spicy-floral character different from simpler eugenol derivatives.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | ~300 °C (estimated) |
| Density | ~1.1 g/cm³ (estimated) |
| Refractive Index | ~1.55 (estimated) |
| Solubility | Soluble in alcohol, oils; insoluble in water |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Adds spicy floral depth |
| Soap/Detergent | 0.1-0.5% | Up to 1% | Stable in alkaline systems |
| Candles | 2-4% | Up to 6% | Good heat stability |
| Cosmetics | 0.5-1.5% | Up to 3% | Blends well with florals |
Classic Accords
Tip: Use with citrus top notes to create a sparkling floral effect, or combine with woody ambers for oriental depth.
Alternatives & Comparisons
More straightforward clove-like character without the floral nuances, useful when a simpler spicy note is desired.
Softer floral effect with better blending properties for white floral compositions, though lacks the spicy dimension.
For more pronounced floral jasmine-like character with good tenacity, though less spicy and more sweet.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific restrictions under IFRA standards. General usage guidelines apply for phenylpropanoid derivatives.
EU Allergen Declaration
Not listed in EU allergen regulations.
GHS Classification
RIFM Assessment
RIFM has evaluated similar phenylpropanoid esters and found them safe at current usage levels in fragrance applications.
Sustainability
As a synthetic material, isoeugenyl phenylacetate avoids the agricultural impacts of natural extracts. Its production from petrochemical precursors raises typical synthetic chemistry environmental considerations. However, its potency means relatively small quantities are needed compared to some natural alternatives, reducing overall material usage in formulations. The ester’s stability also contributes to product longevity, potentially reducing frequency of repurchase.
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References
- Bauer et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH.
- Arctander, S. (1969). Perfume and Flavor Chemicals. Allured Publishing.
- IFRA Standards Library ifrafragrance.org
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 120-24-1Physical Properties
| Molecular Weight | 282.3 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4🔬 PubChem |
| Boiling Point | 412.5 °C🔬 EPA CompTox |
| Vapor Pressure | 0 mmHg @ 25°C📊 OPERA |
| Flash Point | 175.4 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -1.582💻 Calculated |
| SMILES | CC=CC1=CC(=C(C=C1)OC(=O)CC2=CC=CC=C2)OC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 13 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | floralsweet• leffingwell |
| Functional Groups | esteretheralkenearomatic💻 RDKit |
| Isoeugenyl phenylacetate has an intensely sweet odor reminiscent of carnation. It has a vanilla, clove-like and honey odor and a sweet, spicy, slightly fruity flavor.📖 Fenaroli | |
Regulatory Status
| IOFI Classification | Artificial📖 Fenaroli |
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: DTXSID8059508
Physical Properties
| Molecular Weight | 282.339 g/mol🔬 EPA CompTox |
| Density | 1.115 g/cm^3🔬 EPA CTX |
| Boiling Point | 412.5 °C🔬 EPA CTX |
| Melting Point | 82.224 °C📊 OPERA |
| Flash Point | 173.336 °C📊 OPERA |
| Refractive Index | 1.585 Dimensionless📊 OPERA |
| Molar Volume | 252.742 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.027 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.027 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.027 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 9.35 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg📊 OPERA |
| Viscosity | 16.32 cP📊 OPERA |
| Surface Tension | 40.776 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 | 5 count💻 Computed |
| Aromatic Rings | 2 count💻 Computed |
| Molar Refractivity | 84.649 cm^3/mol📊 OPERA |
| Polarizability | 33.558 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.
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