2-Ethylphenol (CAS 90-00-6) — Woody Base Note Fragrance Ingredient
2-Ethylphenol
CAS 90-00-6
What Is 2-Ethylphenol?
2-Ethylphenol is a synthetic aromatic compound used in perfumery to add smoky, medicinal, or leathery notes. It’s found in trace amounts in some foods and beverages like whiskey and smoked meats. This ingredient matters because it provides depth and complexity to fragrances, especially those aiming for a rugged or vintage character.
Safety Profile
USE WITH AWARENESSWhat Does 2-Ethylphenol Smell Like?
2-Ethylphenol delivers an intense, phenolic aroma with strong medicinal and smoky facets. Initial impressions are sharp and slightly rubbery, evolving into a leathery heart with hints of tobacco and burnt wood. The dry-down reveals a lingering, animalic warmth reminiscent of well-worn saddles or aged whiskey barrels.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance the leather accord, providing a smoky, slightly medicinal edge that complements the birch tar and floral notes.
Adds a rugged, vintage leather character to this classic masculine fragrance, balancing the floral and woody elements.
2D Molecular Structure
SMILES: CCC1=C(O)C=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
2-Ethylphenol is a simple phenol derivative with an ethyl group at the ortho position. It’s typically synthesized through alkylation of phenol or via microbial degradation of lignin. The compound’s aromaticity and hydroxyl group make it reactive in various chemical contexts, contributing to its distinctive odor profile.
Physical & Chemical Properties
| Boiling Point | 198 °C |
|---|---|
| Density | 0.865 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.1-0.5% | Up to 1% | Adds smoky leather accents |
| Leather Accord | 0.5-1% | Up to 2% | Enhances rugged character |
Classic Accords
Tip: Use sparingly in leather accords to avoid overwhelming other notes.
Alternatives & Comparisons
When a smoother smoky note is desired, though less leathery than 2-ethylphenol.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA, but recommended for limited use due to potential sensitization.
GHS Classification
RIFM Assessment
RIFM has assessed this material; use should be limited due to potential skin sensitization.
Sustainability
Typically produced synthetically from petrochemical sources. No significant environmental concerns at current usage levels, but alternatives may be preferred for green formulations.
Explore 2-Ethylphenol
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References
- PubChem: 2-Ethylphenol CID 6998
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 90-00-6Physical Properties
| Molecular Weight | 122.16 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.5🔬 PubChem |
| Boiling Point | 204.5 °C🔬 EPA CompTox |
| Vapor Pressure | 1 mmHg @ 25°C📊 OPERA |
| Flash Point | 78.3 °C🔬 EPA CompTox |
| Involatility Index | 0.0975💻 Calculated |
| log Kp (skin permeability) | -1.67💻 Calculated |
| SMILES | CCC1=CC=CC=C1O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | phenolicsweet• leffingwell |
| Functional Groups | phenolaromatic💻 RDKit |
Sensory Thresholds
| Odor Detection Threshold | 0.3 ppm📖 van Gemert |
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: DTXSID1022479
Physical Properties
| Molecular Weight | 122.167 g/mol🔬 EPA CompTox |
| Density | 1.027 g/cm^3🔬 EPA CTX |
| Boiling Point | 202.824 °C🔬 EPA CTX |
| Melting Point | -8.798 °C🔬 EPA CTX |
| Flash Point | 79.72 °C🔬 EPA CTX |
| Refractive Index | 1.537 Dimensionless📊 OPERA |
| Molar Volume | 120.681 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.47 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.529 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.529 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.09 Log10 unitless📊 OPERA |
| Water Solubility | 0.035 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 0.154 mmHg🔬 EPA CTX |
| Viscosity | 6.141 cP📊 OPERA |
| Surface Tension | 36.881 dyn/cm📊 OPERA |
| Thermal Conductivity | 147.089 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.
