3,5-Dimethylphenol (CAS 108-68-9) — Woody Base Note Fragrance Ingredient
3,5-Dimethylphenol
CAS 108-68-9
What Is 3,5-Dimethylphenol?
3,5-Dimethylphenol is a synthetic aromatic compound used in fragrances to add smoky, medicinal, or leathery notes. It’s found in niche perfumes and some industrial odorants. This ingredient matters because it provides a distinctive phenolic character that can’t be easily replicated with natural materials.
Safety Profile
USE WITH AWARENESSWhat Does 3,5-Dimethylphenol Smell Like?
3,5-Dimethylphenol delivers a sharp, medicinal punch reminiscent of antiseptic or tar, evolving into a dry, smoky leather note. The initial phenolic bite gradually softens into a warm, slightly sweet woody undertone. Its persistence makes it useful for creating long-lasting base accords with industrial or animalic character.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to amplify the burnt-wood facet of oud, creating a phenolic medicinal edge that contrasts with rose notes.
Provides the sharp leathery backbone in this classic chypre, enhancing the galbanum and oakmoss with its smoky bite.
2D Molecular Structure
SMILES: CC1=CC(O)=CC(C)=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
3,5-Dimethylphenol is a dimethyl derivative of phenol with aromatic ring substitution. Industrially synthesized through methylation of phenol or cresols. The symmetrical substitution pattern affects its hydrogen bonding capacity and volatility compared to other phenolic compounds.
Physical & Chemical Properties
| Boiling Point | 219-221 °C |
|---|---|
| Melting Point | 64-66 °C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Leather Accords | 0.1-0.5% | Up to 1% | Provides phenolic sharpness |
| Niche Perfumery | 0.01-0.1% | Trace amounts | Used for avant-garde effects |
Classic Accords
Tip: Always pre-dilute to 1% in alcohol before blending due to intense odor and potential staining.
Alternatives & Comparisons
Less sharp phenolic alternative with more smoky-sweet character, preferred when smoother leather notes are desired.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA, but recommended usage below 0.5% in final product.
GHS Classification
RIFM Assessment
RIFM assessment ongoing for phenolic compounds class.
Sustainability
Synthetic production from petrochemical sources raises environmental concerns. No known natural sources. Biodegradability studies limited.
Explore 3,5-Dimethylphenol
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References
- PubChem Compound Summary for 3,5-Dimethylphenol CID 7948
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 108-68-9Physical Properties
| Molecular Weight | 122.16 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.4🔬 PubChem |
| Boiling Point | 219.5 °C🔬 EPA CompTox |
| Vapor Pressure | 1 mmHg @ 25°C📊 OPERA |
| Flash Point | 80 °C🔬 EPA CompTox |
| Involatility Index | 0.0975💻 Calculated |
| log Kp (skin permeability) | -1.741💻 Calculated |
| SMILES | CC1=CC(=CC(=C1)O)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | orrisphenolicspicywoody• leffingwell |
| Functional Groups | phenolaromatic💻 RDKit |
Sensory Thresholds
| Odor Detection Threshold | 0.0141 ppm (n=2)📖 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: DTXSID1025148
Physical Properties
| Molecular Weight | 122.167 g/mol🔬 EPA CompTox |
| Density | 0.993 g/cm^3🔬 EPA CTX |
| Boiling Point | 220.382 °C🔬 EPA CTX |
| Melting Point | 63.734 °C🔬 EPA CTX |
| Flash Point | 88.238 °C🔬 EPA CTX |
| Refractive Index | 1.54 Dimensionless📊 OPERA |
| Molar Volume | 120.414 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.35 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.355 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.355 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.07 Log10 unitless📊 OPERA |
| Water Solubility | 0.04 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 0.039 mmHg🔬 EPA CTX |
| Viscosity | 6.683 cP📊 OPERA |
| Surface Tension | 36.568 dyn/cm📊 OPERA |
| Thermal Conductivity | 143.492 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 | 0 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 37.784 cm^3/mol📊 OPERA |
| Polarizability | 14.979 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.
