2-Ethoxy-4-[(1-methylethoxy)methyl] phenol (CAS 96840-56-1) — Woody Middle to base Note Fragrance Ingredient
2-Ethoxy-4-[(1-methylethoxy)methyl] phenol
CAS 96840-56-1
What Is 2-Ethoxy-4-[(1-methylethoxy)methyl] phenol?
2-Ethoxy-4-[(1-methylethoxy)methyl] phenol is a synthetic fragrance ingredient used in perfumes and personal care products. It contributes to the complex scent profiles of modern fragrances, often found in fine perfumery and body care formulations. This ingredient matters because it helps perfumers create unique, long-lasting scent combinations that wouldn’t be possible with natural materials alone. Its controlled synthesis ensures consistent quality and performance in finished products.
Safety Profile
USE WITH AWARENESSWhat Does 2-Ethoxy-4-[(1-methylethoxy)methyl] phenol Smell Like?
This synthetic phenol derivative offers a distinctive aromatic profile with woody-spicy undertones. Initially presents with a sharp, almost medicinal phenolic character that quickly evolves into a warmer, slightly sweet middle phase. The dry-down reveals an intriguing balance between smoky and balsamic qualities, with a lingering resinous depth. Imagine the transition from freshly cut timber to aged leather, with subtle vanillic nuances emerging over time.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a primary accord for its unique woody-phenolic character that creates an intriguing, modern base note. The synthetic purity allows for precise olfactory effects without natural material variations.
Employed in the spicy-oriental accord to enhance the fragrance’s rich, resinous quality. Contributes to the perfume’s distinctive dry-down that balances sweetness with phenolic depth.
2D Molecular Structure
SMILES: CCOC1=C(O)C=CC(COC(C)C)=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
2-Ethoxy-4-[(1-methylethoxy)methyl] phenol belongs to the substituted phenol class, synthesized through etherification and alkylation reactions. The molecular structure features both ethoxy and isopropoxymethyl substituents on the phenolic ring, creating a unique electron distribution that influences both its odor characteristics and chemical reactivity. While not found in nature, its structural motifs resemble certain naturally occurring phenolic compounds found in smoke and aged wood.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Odor Threshold | Low ppm range |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 3% | Used as a modifier in woody-spicy accords |
| Body Care | 0.1-0.5% | Up to 1% | Provides warmth in masculine products |
Classic Accords
Tip: Use in trace amounts to add phenolic complexity without overpowering the blend.
Alternatives & Comparisons
Offers similar spicy-phenolic characteristics but with more floral aspects. Natural derivative preferred for organic formulations.
Simpler phenolic structure with more medicinal character. Used when a sharper smoke note is desired.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions. General guidelines for phenolic compounds apply.
RIFM Assessment
Currently under review by RIFM. Preliminary data suggests low sensitization potential.
Sustainability
As a synthetic material, production avoids natural resource depletion. Manufacturing requires controlled chemical processes with proper waste management. The compound’s stability reduces environmental persistence compared to some natural alternatives.
Explore 2-Ethoxy-4-[(1-methylethoxy)methyl] phenol
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References
- Bickers et al. (2005). A toxicologic and dermatologic assessment of substituted phenols. Journal of Applied Toxicology. PMID 12355555
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 96840-56-1Physical Properties
| Molecular Weight | 210.27 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.4🔬 PubChem |
| Boiling Point | 275 °C🔬 EPA CompTox |
| Vapor Pressure | 0 mmHg @ 25°C📊 OPERA |
| Flash Point | 136.3 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -2.279💻 Calculated |
| SMILES | CCOC1=C(C=CC(=C1)COC(C)C)O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 8.3 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | spicywoody• leffingwell |
| Functional Groups | phenoletheraromatic💻 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: DTXSID8051411
Physical Properties
| Molecular Weight | 210.273 g/mol🔬 EPA CompTox |
| Density | 1.053 g/cm^3📊 OPERA |
| Boiling Point | 290.444 °C📊 OPERA |
| Melting Point | 51.56 °C📊 OPERA |
| Flash Point | 137.054 °C📊 OPERA |
| Refractive Index | 1.509 Dimensionless📊 OPERA |
| Molar Volume | 200.942 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.298 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.298 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.282 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 9.2 Log10 unitless📊 OPERA |
| Water Solubility | 0.006 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg📊 OPERA |
| Viscosity | 16.995 cP📊 OPERA |
| Surface Tension | 36.563 dyn/cm📊 OPERA |
| Thermal Conductivity | 142.416 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 38.69 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 3 count💻 Computed |
| Rotatable Bonds | 5 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 59.965 cm^3/mol📊 OPERA |
| Polarizability | 23.772 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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