Methyl o-methoxybenzoate (CAS 606-45-1) — Sweet Middle Note Fragrance Ingredient
Methyl o-methoxybenzoate
CAS 606-45-1
What Is Methyl o-methoxybenzoate?
Methyl o-methoxybenzoate is a synthetic fragrance ingredient that adds a sweet, floral nuance to perfumes and scented products. You’ll find it enhancing floral bouquets in fine fragrances and personal care items. This ester plays a supporting role in fragrance compositions, helping to create realistic floral effects while contributing to the overall harmony of a scent.
Safety Profile
GENERALLY SAFEWhat Does Methyl o-methoxybenzoate Smell Like?
Methyl o-methoxybenzoate presents a delicate, sweet-floral character with subtle herbaceous undertones. Its aroma resembles a soft blend of lilac and heliotrope, with a faint powdery nuance that emerges during dry-down. The scent profile maintains remarkable tenacity for such a light molecule, transitioning smoothly from an initial slightly fruity top note to a persistent floral heart. In dilution, it reveals a clean, soapy aspect that makes it valuable for functional fragrance applications.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a supporting floral note to enhance the carnation and spice accord, contributing to the perfume’s timeless powdery floral character.
Helps bridge the jasmine-rose heart with woody base notes, adding subtle sweetness without overwhelming the precious floral absolutes.
2D Molecular Structure
SMILES: COC(=O)C1=C(OC)C=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Methyl o-methoxybenzoate is an aromatic ester formed by the condensation of o-methoxybenzoic acid with methanol. As a synthetic material, it’s typically produced through acid-catalyzed esterification under controlled conditions. The ortho-methoxy substitution creates steric hindrance that influences both its volatility and odor characteristics compared to unsubstituted methyl benzoates. This structural feature also affects its solubility profile, making it slightly more polar than many simple aromatic esters.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | ~245 °C (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Floral modifier |
| Soap | 0.1-0.5% | Up to 1% | Adds clean floral lift |
Classic Accords
Tip: Use to soften harsh floral notes and add diffusion to heavy bases.
Alternatives & Comparisons
When a stronger, wintergreen-like floral character is desired, though less sweet and more medicinal.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply to this material.
RIFM Assessment
Registered with RIFM with no significant safety concerns at current usage levels.
Sustainability
As a synthetic material, methyl o-methoxybenzoate offers consistent quality without natural resource extraction. Production typically follows green chemistry principles with high atom economy in the esterification process. The synthetic route avoids seasonal variability and potential ecological impacts associated with harvesting natural aromatic materials.
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References
- Arctander, S. (1969). Perfume and Flavor Chemicals. Montclair, NJ.
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 606-45-1Physical Properties
| Molecular Weight | 166.17 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2🔬 PubChem |
| Boiling Point | 254 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -2.294💻 Calculated |
| SMILES | COC1=CC=CC=C1C(=O)OC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
Odor & Flavor
| Primary Descriptors | herbal• leffingwell |
| Functional Groups | esteretheraromatic💻 RDKit |
| “Sweet-herbaceous, delicately floral odor of Prod.: by direct esterification ofpara-Anisic good tenacity.”📖 Arctander | |
| Methyl o-methoxybenzoate has an herbaceous, warm, anise-like odor and a sweet taste reminiscent of 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: DTXSID5047087
Physical Properties
| Molecular Weight | 166.176 g/mol🔬 EPA CompTox |
| Density | 1.351 g/cm^3🔬 EPA CTX |
| Boiling Point | 249.333 °C🔬 EPA CTX |
| Melting Point | 48.5 °C🔬 EPA CTX |
| Flash Point | 92.681 °C📊 OPERA |
| Refractive Index | 1.503 Dimensionless📊 OPERA |
| Molar Volume | 151.329 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.04 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.132 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.132 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.06 Log10 unitless📊 OPERA |
| Water Solubility | 0.014 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.046 mmHg📊 OPERA |
| Viscosity | 3.072 cP📊 OPERA |
| Surface Tension | 35.094 dyn/cm📊 OPERA |
| Thermal Conductivity | 142.698 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.
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