2-Methoxy-4-propylphenol (CAS 2785-87-7) — Woody Heart to base Note Fragrance Ingredient
2-Methoxy-4-propylphenol
CAS 2785-87-7
What Is 2-Methoxy-4-propylphenol?
2-Methoxy-4-propylphenol is a synthetic fragrance ingredient used to add warm, spicy, and woody notes to perfumes and scented products. You’ll encounter it in fine fragrances, candles, and personal care items where a rich, complex aroma is desired. This molecule matters because it helps create depth in oriental and woody fragrance families, acting as a bridge between top notes and base notes for longer-lasting scents.
Safety Profile
USE WITH AWARENESSWhat Does 2-Methoxy-4-propylphenol Smell Like?
2-Methoxy-4-propylphenol unfolds with an initial medicinal-phenolic sharpness that quickly softens into a warm, woody-spicy heart reminiscent of aged hardwood and clove. The dry-down reveals a creamy vanillic undertone with whispers of smoked tea leaves. Unlike simpler phenolics, this molecule maintains dimensional complexity for hours, transitioning from peppery brightness to a comforting, amber-like base that blends seamlessly with musks and resins.
2D Molecular Structure
SMILES: CCCC1=CC(OC)=C(O)C=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
2-Methoxy-4-propylphenol belongs to the alkylmethoxyphenol class, structurally related to natural phenolic compounds found in smoke and certain spices. Industrially synthesized through Friedel-Crafts alkylation of guaiacol, this chiral molecule exists as enantiomers that may exhibit different odor profiles. The propyl side chain enhances hydrophobicity compared to simpler methoxyphenols, contributing to its superior longevity in fragrance applications.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 3% | Woody-spicy accent |
| Home Fragrance | 1-3% | Up to 5% | Adds warmth to candle blends |
Classic Accords
Tip: Use with citrus top notes to prevent phenolic sharpness from dominating the opening.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted under IFRA standards. Monitor for future amendments regarding phenolic compounds.
RIFM Assessment
No specific RIFM assessment found. General phenolic compound safety guidelines apply.
Sustainability
As a synthetic material, 2-methoxy-4-propylphenol avoids natural resource depletion concerns. Modern synthesis routes aim to minimize solvent waste and energy consumption. Being petroleum-derived, its environmental impact depends on green chemistry practices during manufacturing.
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Ingredient Data Sheet
CAS 2785-87-7Physical Properties
| Molecular Weight | 166.22 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.2🔬 PubChem |
| Boiling Point | 125 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0225 mmHg @ 25°C📊 OPERA |
| Flash Point | 114 °C🔬 EPA CompTox |
| Involatility Index | 0.0019💻 Calculated |
| log Kp (skin permeability) | -2.152💻 Calculated |
| SMILES | CCCC1=CC(=C(C=C1)O)OC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 2.6 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | balsamicspicysweet• leffingwell |
| Functional Groups | phenoletheraromatic💻 RDKit |
| “Discolors less in soap than Eugenol, but only when measured weight/weight - not considering equal odor strength (it takes more DHE than Eugenol to produce a certain amount of spicy odor).”📖 Arctander | |
| 2-Methoxy-4-propylphenol has a warm, spicy, sweet and slightly floral balsamic odor.📖 Fenaroli | |
Sensory Thresholds
| Odor Detection Threshold | 0.4077 ppm (n=4)📖 van Gemert |
Regulatory Status
| IFRA Listed | Yes — see IFRA Standards for category limits⚖️ IFRA 51 |
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: DTXSID2047199
Physical Properties
| Molecular Weight | 166.22 g/mol🔬 EPA CompTox |
| Density | 1.037 g/cm^3🔬 EPA CTX |
| Boiling Point | 256.753 °C📊 OPERA |
| Melting Point | -6 °C🔬 EPA CTX |
| Flash Point | 113.367 °C🔬 EPA CTX |
| Refractive Index | 1.52 Dimensionless📊 OPERA |
| Molar Volume | 161.19 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.595 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.64 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.639 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.73 Log10 unitless📊 OPERA |
| Water Solubility | 0.007 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 0.023 mmHg🔬 EPA CTX |
| Viscosity | 7.265 cP📊 OPERA |
| Surface Tension | 36.244 dyn/cm📊 OPERA |
| Thermal Conductivity | 145.051 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 | 3 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 48.995 cm^3/mol📊 OPERA |
| Polarizability | 19.423 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.
