1,2-Dimethoxybenzene (CAS 91-16-7) — Woody Middle Note Fragrance Ingredient
1,2-Dimethoxybenzene
CAS 91-16-7
What Is 1,2-Dimethoxybenzene?
1,2-Dimethoxybenzene is a synthetic aromatic compound used in perfumery to create warm, woody-spicy accords. You might encounter it in niche fragrances or as a supporting note in modern woody compositions. This ingredient matters because it adds depth and complexity to fragrances, often serving as a bridge between fresh top notes and rich base notes.
Safety Profile
GENERALLY SAFEWhat Does 1,2-Dimethoxybenzene Smell Like?
1,2-Dimethoxybenzene presents a complex aromatic profile with initial sharp, almost medicinal top notes that quickly evolve into a warm, woody-spicy heart. The dry-down reveals a subtle sweetness reminiscent of dried fruits or aged woods, with a faint phenolic edge that adds character without overpowering. Its behavior resembles a muted version of clove or allspice, but with cleaner, more refined woody undertones.
2D Molecular Structure
SMILES: COC1=CC=CC=C1OC
Chemistry, Properties & Perfumer Guide
The Chemistry
1,2-Dimethoxybenzene is an aromatic ether belonging to the benzene derivatives class. It’s synthesized through methylation of catechol using dimethyl sulfate or methyl iodide. The molecule features two methoxy groups in ortho position on the benzene ring, which influences its electron distribution and reactivity. This substitution pattern contributes to its distinctive odor profile and stability in formulations.
Physical & Chemical Properties
| Boiling Point | 206-207 °C |
|---|---|
| Density | 1.084 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Used as a woody-spicy modifier |
| Functional Fragrance | 0.1-0.5% | Up to 1% | For subtle woody accents |
Classic Accords
Tip: Use in small quantities to add woody complexity without dominating the composition.
Alternatives & Comparisons
For stronger clove-like spicy notes with similar woody undertones but greater intensity.
When a more phenolic, smoky character is desired in place of the cleaner dimethoxybenzene profile.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted by IFRA standards.
RIFM Assessment
No specific RIFM assessment found for this material.
Sustainability
As a synthetic material, 1,2-dimethoxybenzene has consistent production with controlled environmental impact. Its synthesis from catechol derivatives allows for efficient manufacturing processes with minimal waste. Being petroleum-derived, it doesn’t compete with food crops but relies on fossil resources.
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References
- PubChem Compound Summary for 1,2-Dimethoxybenzene PubChem CID: 7039
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID7047065
Physical Properties
| Molecular Weight | 138.166 g/mol🔬 EPA CompTox |
| Density | 1.081 g/cm^3🔬 EPA CTX |
| Boiling Point | 206.125 °C🔬 EPA CTX |
| Melting Point | 20.006 °C🔬 EPA CTX |
| Flash Point | 85.64 °C🔬 EPA CTX |
| Refractive Index | 1.488 Dimensionless📊 OPERA |
| Molar Volume | 137.438 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.684 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 1.666 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.666 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.44 Log10 unitless📊 OPERA |
| Water Solubility | 0.044 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.536 mmHg🔬 EPA CTX |
| Viscosity | 1.948 cP📊 OPERA |
| Surface Tension | 31.671 dyn/cm📊 OPERA |
| Thermal Conductivity | 144.355 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 18.46 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 2 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 39.61 cm^3/mol📊 OPERA |
| Polarizability | 15.703 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.
