Methyl anisate (CAS 121-98-2) — Sweet Middle Note Fragrance Ingredient
Methyl anisate
CAS 121-98-2
What Is Methyl anisate?
Methyl anisate is a synthetic fragrance ingredient with a sweet, floral-anisic aroma. It’s commonly used in perfumes, soaps, and candles. This ingredient provides a licorice-like sweetness that blends well with vanilla and spice notes.
Safety Profile
GENERALLY SAFEWhat Does Methyl anisate Smell Like?
Methyl anisate opens with a burst of sweet, powdery anise reminiscent of black licorice candies. The heart reveals a delicate floral character akin to heliotrope, with a subtle vanilla-honey undertone. Over time, it settles into a soft, comforting sweetness that lingers close to the skin.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance the powdery iris-anise accord, creating a nostalgic, candied violet effect.
Blends with vanilla and lavender for a pioneering sweet-aromatic structure.
2D Molecular Structure
SMILES: COC(=O)C1=CC=C(OC)C=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Methyl anisate is the methyl ester of p-anisic acid. It’s typically synthesized via esterification of anisic acid with methanol. The compound’s sweet character comes from its para-methoxybenzyl structure, which is common in many floral-sweet aroma chemicals.
Physical & Chemical Properties
| Boiling Point | 256 °C |
|---|---|
| Density | 1.092 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Sweetener for floral bouquets |
| Soap/Candle | 0.5-2% | Up to 3% | Provides lasting sweetness |
Classic Accords
Tip: Use to bridge citrus top notes with sweet basenotes.
Alternatives & Comparisons
More floral, less sweet. Better for lilac and hawthorn accords.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions. Used freely in fragrance compositions.
RIFM Assessment
RIFM safety assessment confirms safe use at current levels.
Sustainability
Synthesized from petrochemical sources. Production requires minimal energy compared to natural extraction methods.
Explore Methyl anisate
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References
- Bauer et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH. ISBN 3-527-30364-2
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 121-98-2Physical Properties
| Molecular Weight | 166.17 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.3🔬 PubChem |
| Boiling Point | 244 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -2.081💻 Calculated |
| SMILES | COC1=CC=C(C=C1)C(=O)OC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
Odor & Flavor
| Primary Descriptors | sweetvanilla• leffingwell |
| Functional Groups | esteretheraromatic💻 RDKit |
| “Sweet-herbaceous, delicately floral odor of Prod.: by direct esterification ofpara-Anisic good tenacity.”📖 Arctander | |
| Methyl anisate has an herbaceous, anise-like odor and a sweet taste similar to melon.📖 Fenaroli | |
Regulatory Status
| 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: DTXSID7047645
Physical Properties
| Molecular Weight | 166.176 g/mol🔬 EPA CompTox |
| Density | 1.106 g/cm^3📊 OPERA |
| Boiling Point | 250.25 °C🔬 EPA CTX |
| Melting Point | 49.418 °C🔬 EPA CTX |
| Flash Point | 101.879 °C📊 OPERA |
| Refractive Index | 1.503 Dimensionless📊 OPERA |
| Molar Volume | 151.329 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.27 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.276 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.276 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.06 Log10 unitless📊 OPERA |
| Water Solubility | 0.006 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.011 mmHg📊 OPERA |
| Viscosity | 2.948 cP📊 OPERA |
| Surface Tension | 35.175 dyn/cm📊 OPERA |
| Thermal Conductivity | 143.852 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 35.53 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 3 count💻 Computed |
| Rotatable Bonds | 2 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 44.705 cm^3/mol📊 OPERA |
| Polarizability | 17.722 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.
