2,3-Dimethylphenol (CAS 526-75-0) — Woody Middle to base Note Fragrance Ingredient
2,3-Dimethylphenol
CAS 526-75-0
What Is 2,3-Dimethylphenol?
2,3-Dimethylphenol is a synthetic aromatic compound used in fragrance formulations. It’s not commonly encountered in everyday products but may appear in niche perfumes. This ingredient contributes smoky, medicinal, and slightly phenolic nuances to fragrances, often used to create leather or tobacco accords.
Safety Profile
USE WITH AWARENESSWhat Does 2,3-Dimethylphenol Smell Like?
2,3-Dimethylphenol presents a sharp, medicinal opening with distinct phenolic character reminiscent of hospital antiseptics. The heart reveals a smoky, tar-like quality that evolves into a dry leathery base. In dilution, it contributes a warm, slightly sweet woody nuance that blends well with tobacco and amber accords. The dry-down leaves a persistent, slightly animalic trace that adds depth to masculine compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance the leather accord with its phenolic, slightly medicinal character that blends with birch tar for an authentic saddle leather effect.
Provides smoky depth to the birch leather accord, adding realism to the Russian leather concept.
2D Molecular Structure
SMILES: CC1=C(C)C(O)=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
2,3-Dimethylphenol belongs to the cresol family, with two methyl groups ortho to the hydroxyl group. It’s typically synthesized through methylation of phenol or from coal tar fractions. The steric hindrance from the adjacent methyl groups affects its reactivity compared to simpler phenols. This compound exists as a single isomer due to the fixed positions of the methyl groups.
Physical & Chemical Properties
| Boiling Point | 218-220 °C |
|---|---|
| Melting Point | 72-74 °C |
| Density | 1.02 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.1-0.5% | Up to 1% | Used sparingly for leather/tobacco effects |
| Functional Fragrance | 0.05-0.2% | Up to 0.5% | Restricted in leave-on products |
Classic Accords
Tip: Always pre-dilute to 1% in ethanol before incorporating into blends due to strong odor impact.
Alternatives & Comparisons
Less intense phenolic character, suitable when a softer medicinal note is desired.
Provides similar smoky aspects with added sweet, woody nuances from the methoxy group.
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 levels should follow general phenolic compound guidelines.
GHS Classification
RIFM Assessment
RIFM has evaluated related cresols but no specific assessment found for 2,3-dimethylphenol. General phenol precautions apply.
Sustainability
Synthesized from petrochemical sources with no known natural occurrence. Production requires careful waste management due to phenolic byproducts. Not considered biodegradable, but used in such small quantities that environmental impact is minimal.
Explore 2,3-Dimethylphenol
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press.
- Arctander, S. (1969). Perfume and Flavor Chemicals. Allured Publishing.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID6025143
Physical Properties
| Molecular Weight | 122.167 g/mol🔬 EPA CompTox |
| Density | 0.919 g/cm^3🔬 EPA CTX |
| Boiling Point | 217.268 °C🔬 EPA CTX |
| Melting Point | 73.27 °C🔬 EPA CTX |
| Flash Point | 95.175 °C🔬 EPA CTX |
| Refractive Index | 1.54 Dimensionless📊 OPERA |
| Molar Volume | 120.414 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.447 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.42 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.42 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.07 Log10 unitless📊 OPERA |
| Water Solubility | 0.037 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 0.067 mmHg🔬 EPA CTX |
| Viscosity | 6.235 cP📊 OPERA |
| Surface Tension | 36.665 dyn/cm📊 OPERA |
| Thermal Conductivity | 142.679 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.
