4-Ethylguaiacol (CAS 2785-89-9) — Woody Middle Note Fragrance Ingredient
4-Ethylguaiacol
CAS 2785-89-9
What Is 4-Ethylguaiacol?
4-Ethylguaiacol is a synthetic aroma chemical used in perfumery and flavoring. It imparts smoky, spicy, and woody notes commonly found in fragrances and food products. This ingredient matters because it adds depth and complexity to compositions, often used to create smoky or leathery accords in perfumes and to enhance savory flavors in food.
Safety Profile
USE WITH AWARENESSWhat Does 4-Ethylguaiacol Smell Like?
4-Ethylguaiacol offers a rich, smoky aroma with spicy undertones and a woody backbone. Its scent evolves from an initial sharp smokiness to a warmer, more rounded heart, finally drying down to a subtle, lingering woodiness. The aroma is reminiscent of charred wood, clove, and a hint of vanilla, making it versatile for both masculine and unisex fragrances.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance the smoky tobacco note, adding depth and a slightly spicy edge to the vanilla base.
Contributes to the dark, smoky rose accord, blending seamlessly with patchouli and oud.
2D Molecular Structure
SMILES: CCC1=CC(OC)=C(O)C=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
4-Ethylguaiacol is a phenolic compound belonging to the guaiacol family. It is synthesized through the alkylation of guaiacol with ethylene. The compound is chiral, but typically used as a racemic mixture in perfumery. Its structure allows for strong interactions with olfactory receptors, contributing to its potent smoky aroma.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Adds smoky depth to oriental and woody fragrances |
| Functional Fragrance | 0.5-1% | Up to 2% | Used in soaps and detergents for a smoky note |
Classic Accords
Tip: Use sparingly to avoid overpowering other notes.
Alternatives & Comparisons
A simpler phenolic compound with a similar smoky aroma but less complexity.
Offers a more medicinal smoky note, useful for specific accords.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions. Always check latest amendments.
EU Allergen Declaration
Not listed as an EU allergen.
GHS Classification
RIFM Assessment
RIFM has assessed this ingredient as safe for use in current practices.
Sustainability
4-Ethylguaiacol is synthetically produced, reducing reliance on natural resources. Its production is efficient, with minimal environmental impact when handled responsibly. Synthetic production ensures consistent quality and supply.
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References
- PubChem Compound Summary for 4-Ethylguaiacol PubChem CID: N/A
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID0047038
Physical Properties
| Molecular Weight | 152.193 g/mol🔬 EPA CompTox |
| Density | 1.06 g/cm^3🔬 EPA CTX |
| Boiling Point | 235.667 °C🔬 EPA CTX |
| Melting Point | 4 °C🔬 EPA CTX |
| Flash Point | 107.8 °C🔬 EPA CTX |
| Refractive Index | 1.525 Dimensionless📊 OPERA |
| Molar Volume | 144.683 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.178 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.178 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.178 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.58 Log10 unitless📊 OPERA |
| Water Solubility | 0.016 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.012 mmHg📊 OPERA |
| Viscosity | 6.327 cP📊 OPERA |
| Surface Tension | 36.589 dyn/cm📊 OPERA |
| Thermal Conductivity | 147.124 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 29.46 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 2 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 44.362 cm^3/mol📊 OPERA |
| Polarizability | 17.587 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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