Ethyl (p-tolyloxy)acetate (CAS 67028-40-4) — Green Middle Note Fragrance Ingredient
Ethyl (p-tolyloxy)acetate
CAS 67028-40-4
What Is Ethyl (p-tolyloxy)acetate?
Ethyl (p-tolyloxy)acetate is a synthetic fragrance ingredient used in perfumes and scented products. It contributes a unique aromatic character to formulations. This compound matters because it helps perfumers create distinctive scent profiles that can’t be achieved with natural materials alone.
Safety Profile
GENERALLY SAFEWhat Does Ethyl (p-tolyloxy)acetate Smell Like?
Ethyl (p-tolyloxy)acetate presents a crisp, aromatic character with subtle floral undertones. The opening reveals a clean, slightly phenolic sharpness that evolves into a smoother, more rounded middle phase reminiscent of fresh herbs. As it dries down, it leaves a delicate woody-resinous trail with faintly sweet nuances. The overall effect is reminiscent of crushed green stems with a whisper of antique roses.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a modern aromatic modifier to create contrast with the central amber accord, adding structural definition without overpowering the composition.
Provides a crisp green facet that bridges naturalistic galbanum notes with more abstract synthetic elements in this futuristic chypre.
2D Molecular Structure
SMILES: CCOC(=O)COC1=CC=C(C)C=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Ethyl (p-tolyloxy)acetate belongs to the ester class of compounds, specifically an aromatic ether ester. It is synthesized through esterification reactions between p-cresol derivatives and ethyl glycolate. The compound features both aromatic and aliphatic ester functionalities, giving it unique solubility and volatility properties. The molecular structure allows for good stability in various pH ranges while maintaining its aromatic character.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | Not established |
| Density | Approx. 1.05 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Used as aromatic modifier |
| Functional Fragrance | 0.1-0.5% | Up to 1% | Provides clean character |
Classic Accords
Tip: Use to add crispness to green florals without introducing excessive sharpness.
Alternatives & Comparisons
Offers similar aromatic character but with more pronounced honeyed sweetness and less green sharpness.
Provides comparable aromatic effects with better stability in alkaline systems.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA standards.
RIFM Assessment
No formal RIFM assessment available as of 2023.
Sustainability
As a synthetic material, Ethyl (p-tolyloxy)acetate has minimal environmental impact in production compared to natural extracts. Its synthesis avoids agricultural land use and can be optimized for atom efficiency. The compound’s stability contributes to longer-lasting fragrances, potentially reducing reapplication frequency.
Explore Ethyl (p-tolyloxy)acetate
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References
- Bauer et al. (2001). Synthetic Fragrance Ingredients. Perfumer & Flavorist.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 67028-40-4Physical Properties
| Molecular Weight | 194.23 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.6🔬 PubChem |
| Boiling Point | 120 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -2.039💻 Calculated |
| SMILES | CCOC(=O)COC1=CC=C(C=C1)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
Odor & Flavor
| Primary Descriptors | cherryfruityhoneynutty• leffingwell |
| Functional Groups | esteretheraromatic💻 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: DTXSID8047428
Physical Properties
| Molecular Weight | 194.23 g/mol🔬 EPA CompTox |
| Density | 1.067 g/cm^3📊 OPERA |
| Boiling Point | 266.082 °C📊 OPERA |
| Melting Point | 54.205 °C📊 OPERA |
| Flash Point | 108.939 °C📊 OPERA |
| Refractive Index | 1.497 Dimensionless📊 OPERA |
| Molar Volume | 182.713 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.41 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.41 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.41 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.07 Log10 unitless📊 OPERA |
| Water Solubility | 0.004 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.003 mmHg📊 OPERA |
| Viscosity | 4.159 cP📊 OPERA |
| Surface Tension | 35.35 dyn/cm📊 OPERA |
| Thermal Conductivity | 143.454 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 | 4 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 53.43 cm^3/mol📊 OPERA |
| Polarizability | 21.181 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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