3-Ethylphenol (CAS 620-17-7) — Woody Middle Note Fragrance Ingredient
3-Ethylphenol
CAS 620-17-7
What Is 3-Ethylphenol?
3-Ethylphenol is a synthetic aromatic compound used in perfumery to add smoky, leathery, and medicinal nuances. You might encounter it in niche fragrances that aim for bold, unconventional character. This ingredient matters because it provides depth and complexity to modern compositions, particularly those with dark, woody, or animalic themes where a touch of phenolic sharpness is desired.
Safety Profile
USE WITH AWARENESSWhat Does 3-Ethylphenol Smell Like?
3-Ethylphenol announces itself with a sharp, phenolic bite reminiscent of hospital antiseptics and charred wood. The initial medicinal blast gradually softens into a smoky leather accord, like the lingering scent of extinguished campfire embers. At dry-down, it reveals a subtle sweetness akin to birch tar, adding animalic depth without overwhelming. Used skillfully, it provides a provocative edge to dark florals and chypres.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Provides the leathery backbone in this iconic chypre, contributing a daring phenolic roughness that contrasts with the galbanum and jasmine.
Used sparingly to darken the fruity-woody accord, adding a shadowy medicinal nuance beneath the opulent spices and oud.
2D Molecular Structure
SMILES: CCC1=CC=CC(O)=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
As a substituted phenol, 3-ethylphenol belongs to the aromatic alcohol class. The ethyl group at the meta position influences both volatility and odor characteristics compared to other phenolic derivatives. Industrial synthesis typically involves alkylation of phenol with ethanol under acidic conditions. The meta substitution pattern creates distinct steric and electronic effects that modify both reactivity and olfactory properties versus ortho or para isomers.
Physical & Chemical Properties
| Boiling Point | 218-220 °C |
|---|---|
| Density | 1.01 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.1-0.5% | Up to 1% | Used as leather/smoke modifier |
| Functional Fragrance | 0.01-0.1% | Up to 0.2% | Restricted due to potency |
Classic Accords
Tip: Always pre-dilute to 1% or lower before incorporating due to intense phenolic character.
Alternatives & Comparisons
Softer phenolic character with smoky vanilla nuances, preferred when less medicinal sharpness is desired.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions. General phenolic compound guidelines apply.
GHS Classification
RIFM Assessment
Not currently evaluated by RIFM. Use recommended at <1% in final product.
Sustainability
Synthetic production avoids natural resource depletion. Manufacturing requires proper waste phenol management. No known significant environmental persistence.
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Physicochemical Properties
DTXSID: DTXSID0022480
Physical Properties
| Molecular Weight | 122.167 g/mol🔬 EPA CompTox |
| Density | 1.014 g/cm^3🔬 EPA CTX |
| Boiling Point | 216.225 °C🔬 EPA CTX |
| Melting Point | -4 °C🔬 EPA CTX |
| Flash Point | 94.075 °C🔬 EPA CTX |
| Refractive Index | 1.537 Dimensionless📊 OPERA |
| Molar Volume | 120.681 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.409 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.494 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.494 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.09 Log10 unitless📊 OPERA |
| Water Solubility | 0.045 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 0.05 mmHg🔬 EPA CTX |
| Viscosity | 6.451 cP📊 OPERA |
| Surface Tension | 36.96 dyn/cm📊 OPERA |
| Thermal Conductivity | 144.734 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 20.23 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 37.684 cm^3/mol📊 OPERA |
| Polarizability | 14.939 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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