Isoeugenol benzoate (CAS 4194-00-7) — Balsamic Middle to Base Note Fragrance Ingredient
Isoeugenol benzoate
CAS 4194-00-7
What Is Isoeugenol benzoate?
Isoeugenol benzoate is a synthetic fragrance ingredient used to add warm, spicy, and slightly floral notes to perfumes. It’s commonly found in fine fragrances, soaps, and candles. This ingredient matters because it provides longevity to fragrance compositions, acting as a fixative while contributing its own distinctive scent profile.
Safety Profile
USE WITH AWARENESSWhat Does Isoeugenol benzoate Smell Like?
Isoeugenol benzoate offers a rich, warm aroma with a spicy clove-like heart, subtly sweetened by a benzoic undertone. The top note presents a sharp, almost medicinal warmth that quickly mellows into a velvety floral-spiciness. Over time, it evolves into a soft, balsamic dry-down with whispers of vanilla and tobacco. Like a well-worn leather chair near a fireplace, it provides comforting depth without overwhelming.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used for its warm, spicy character that blends seamlessly with the oriental accord, adding depth and longevity to the fragrance.
Provides a rich, balsamic-spicy facet that complements the cinnamon and patchouli in this classic oriental.
Contributes to the deep, spicy-ambery base that defines this groundbreaking bath oil turned fragrance.
2D Molecular Structure
SMILES: COC1=CC(C=CC)=CC=C1OC(=O)C1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Isoeugenol benzoate is an ester formed from isoeugenol and benzoic acid. This synthetic molecule belongs to the phenylpropanoid class, sharing structural similarities with naturally occurring spicy compounds. Industrial synthesis typically involves esterification of isoeugenol under acidic conditions. The benzoate group enhances molecular weight and volatility properties compared to free isoeugenol, making it more tenacious in fragrance applications.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Adds warmth and tenacity |
| Soaps | 0.5-1% | Up to 2% | Provides lasting spicy character |
| Candles | 2-4% | Up to 6% | Excellent heat stability |
Classic Accords
Tip: Use with citrus top notes to create dynamic contrast between freshness and warmth.
Alternatives & Comparisons
When a simpler, more direct clove note is desired without the benzoate sweetness.
For a more volatile version with similar spicy character but less tenacity.
When fixative properties are needed without the spicy tonalities.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA, but use levels should follow general guidelines for sensitizing materials.
EU Allergen Declaration
May trigger allergen declaration requirements due to structural similarity to isoeugenol.
GHS Classification
RIFM Assessment
RIFM has evaluated related compounds but no specific assessment found for this ester.
Sustainability
As a synthetic material, isoeugenol benzoate doesn’t face sourcing challenges like natural materials. However, its production depends on petrochemical feedstocks. Modern synthesis routes aim to improve atom economy and reduce waste streams compared to traditional methods.
Explore Isoeugenol benzoate
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
References
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 4194-00-7Physical Properties
| Molecular Weight | 268.31 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4.3🔬 PubChem |
| Boiling Point | 349 °C🔬 EPA CompTox |
| Vapor Pressure | 0 mmHg @ 25°C📊 OPERA |
| Flash Point | 190.1 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -1.284💻 Calculated |
| SMILES | CC=CC1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2)OC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 11.1 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | balsamicwoody• leffingwell |
| Functional Groups | esteretheralkenearomatic💻 RDKit |
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: DTXSID80863337
Physical Properties
| Molecular Weight | 268.312 g/mol🔬 EPA CompTox |
| Density | 1.123 g/cm^3📊 OPERA |
| Boiling Point | 387.11 °C📊 OPERA |
| Melting Point | 82.851 °C📊 OPERA |
| Flash Point | 182.042 °C📊 OPERA |
| Refractive Index | 1.592 Dimensionless📊 OPERA |
| Molar Volume | 237.829 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.767 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.767 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.767 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.86 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 | 15.286 cP📊 OPERA |
| Surface Tension | 40.976 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 | 4 count💻 Computed |
| Aromatic Rings | 2 count💻 Computed |
| Molar Refractivity | 80.466 cm^3/mol📊 OPERA |
| Polarizability | 31.899 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.
