o-Phenyl anisole (CAS 86-26-0) — Floral Top to Heart Note Fragrance Ingredient
o-Phenyl anisole
CAS 86-26-0
What Is o-Phenyl anisole?
o-Phenyl anisole is a synthetic aromatic compound used in perfumery. It is commonly found in fragrances that require a sweet, floral, and slightly spicy character. This ingredient matters because it adds depth and complexity to floral compositions, often used to enhance the longevity of top notes.
Safety Profile
GENERALLY SAFEWhat Does o-Phenyl anisole Smell Like?
o-Phenyl anisole offers a sweet, floral aroma with a subtle spicy undertone. It evolves from a bright, slightly herbal top note to a warm, floral heart, and finally settles into a soft, powdery base. The dry-down is reminiscent of dried flowers with a hint of vanilla.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance the floral bouquet, adding a sweet, powdery nuance that balances the aldehydes and jasmine.
Adds a warm, floral-spicy accent to the vanilla and amber base, creating a timeless oriental fragrance.
2D Molecular Structure
SMILES: COC1=CC=CC=C1C1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
o-Phenyl anisole is a synthetic aromatic ether. It is synthesized through the Williamson ether synthesis, reacting phenol with methyl iodide in the presence of a base. The compound is stable under normal conditions and is used primarily in perfumery for its sweet, floral odor.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds floral sweetness |
| Soap | 0.5-2% | Up to 5% | Enhances floral notes |
Classic Accords
Tip: Use in floral compositions to add sweetness and longevity.
Alternatives & Comparisons
A more floral and less spicy alternative, often used in rose compositions.
Offers a sweeter, fruity-floral character, suitable for lighter fragrances.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under IFRA standards.
RIFM Assessment
RIFM has assessed o-Phenyl anisole as safe for use in fragrances at current levels.
Sustainability
o-Phenyl anisole is synthesized from petrochemical sources. Efforts are being made to explore greener synthesis routes to reduce environmental impact.
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References
- PubChem. o-Phenyl anisole. PubChem CID: N/A
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID6052584
Physical Properties
| Molecular Weight | 184.238 g/mol🔬 EPA CompTox |
| Density | 1.02 g/cm^3🔬 EPA CTX |
| Boiling Point | 274 °C🔬 EPA CTX |
| Melting Point | 29.889 °C🔬 EPA CTX |
| Flash Point | 115.104 °C📊 OPERA |
| Refractive Index | 1.557 Dimensionless📊 OPERA |
| Molar Volume | 178.721 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.79 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.79 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.79 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.2 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.005 mmHg📊 OPERA |
| Surface Tension | 39.294 dyn/cm📊 OPERA |
| Thermal Conductivity | 133.817 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 9.23 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 2 count💻 Computed |
| Aromatic Rings | 2 count💻 Computed |
| Molar Refractivity | 57.523 cm^3/mol📊 OPERA |
| Polarizability | 22.804 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.
