2-Methoxy-4-methylphenol (CAS 93-51-6) — Woody Middle to base Note Fragrance Ingredient
2-Methoxy-4-methylphenol
CAS 93-51-6
What Is 2-Methoxy-4-methylphenol?
2-Methoxy-4-methylphenol is a synthetic aromatic compound used to create warm, spicy, and woody notes in perfumes. You’ll encounter it in oriental fragrances and some gourmand scents. This ingredient matters because it adds a distinctive smoky-sweet character that perfumers use to evoke complexity and depth in modern compositions.
Safety Profile
USE WITH AWARENESSWhat Does 2-Methoxy-4-methylphenol Smell Like?
2-Methoxy-4-methylphenol delivers an intense, smoky-sweet aroma reminiscent of charred vanilla pods and clove cigarettes. Its initial burst carries phenolic sharpness that quickly mellows into a warm, balsamic heart with facets of toasted oak and medicinal cherry. The dry-down reveals persistent woody undertones with a faintly leathery nuance, making it particularly useful for creating oriental depth or modifying sweet accords.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Provides the smoky-balsamic backbone that defines this legendary oriental, blending with spices and florals to create narcotic warmth.
Used sparingly to enhance the vanilla-amber accord, adding phenolic complexity to this classic oriental composition.
2D Molecular Structure
SMILES: COC1=CC(C)=CC=C1O
Chemistry, Properties & Perfumer Guide
The Chemistry
2-Methoxy-4-methylphenol belongs to the methoxyphenol class, structurally related to natural compounds found in smoked foods and certain woods. Synthesized through methylation of creosol or via guaiacol derivatives, this planar aromatic molecule exhibits strong hydrogen bonding capacity. Its electron-rich aromatic system makes it particularly reactive in radical scavenging applications beyond perfumery.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | 220-222 °C |
| Density | 1.092 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | For oriental and woody accords |
| Functional Fragrance | 0.1-0.5% | Up to 1% | Masking agent in household products |
Classic Accords
Tip: Use with citrus top notes to prevent excessive smokiness in the opening.
Alternatives & Comparisons
More phenolic and medicinal, useful when sharper smoky notes are required without the sweetness.
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.
GHS Classification
RIFM Assessment
RIFM evaluation confirms safe use at current industry levels with appropriate precautions.
Sustainability
Synthetically produced from petrochemical precursors, with established manufacturing processes that minimize environmental impact. No known natural sources in significant quantities, making synthetic production the only viable route.
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References
- Bauer et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH. ISBN 9783527600214
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 93-51-6Physical Properties
| Molecular Weight | 138.16 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.3🔬 PubChem |
| Boiling Point | 221 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0237 mmHg @ 25°C📊 OPERA |
| Flash Point | 99.4 °C🔬 EPA CompTox |
| Involatility Index | 0.0022💻 Calculated |
| log Kp (skin permeability) | -2.62💻 Calculated |
| SMILES | CC1=CC(=C(C=C1)O)OC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 2.1 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | phenolicsmokyspicysweetvanilla• leffingwell |
| Functional Groups | phenoletheraromatic💻 RDKit |
| “Sweet-spicy, phenolic-leathery odor with distinctly Vanilla-like undertones, balsamic-warm sweetness, but overall too medicinal to become classified as a versatile, floral-balsamic ingredient.”📖 Arctander | |
| 2-Methoxy-4-methylphenol has a characteristic aromatic odor (sweet, spicy, slightly vanilla-like) and a somewhat bitter taste (vanilla-like).📖 Fenaroli | |
Flavor Notes (Arctander)
| “Finds use in flavor compositions for imitation Vanilla, Clove, various fruit compositions, Rum flavors, etc. and in Nut-Nougat flavor bases.”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 0.3138 ppm (n=3)📖 van Gemert |
Regulatory Status
| IFRA Listed | Yes — see IFRA Standards for category limits⚖️ IFRA 51 |
| EU Annex III | Listed (restricted)⚖️ IFRA 51 |
| FEMA Number | FEMA 2671⚖️ FEMA GRAS |
| GRAS Status | Generally Recognized as Safe⚖️ FEMA GRAS |
| IOFI Classification | Nature Identical📖 Fenaroli |
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: DTXSID6047105
Physical Properties
| Molecular Weight | 138.166 g/mol🔬 EPA CompTox |
| Density | 1.091 g/cm^3🔬 EPA CTX |
| Boiling Point | 221.167 °C🔬 EPA CTX |
| Melting Point | 5.318 °C🔬 EPA CTX |
| Flash Point | 99.475 °C🔬 EPA CTX |
| Refractive Index | 1.531 Dimensionless📊 OPERA |
| Molar Volume | 128.141 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.2 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 1.656 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.656 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.48 Log10 unitless📊 OPERA |
| Water Solubility | 0.015 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 0.024 mmHg🔬 EPA CTX |
| Viscosity | 7.828 cP📊 OPERA |
| Surface Tension | 36.85 dyn/cm📊 OPERA |
| Thermal Conductivity | 148.427 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 | 1 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 39.638 cm^3/mol📊 OPERA |
| Polarizability | 15.714 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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