Methyl atrarate (CAS 4707-47-5) — Woody Heart Note Fragrance Ingredient
Methyl atrarate
CAS 4707-47-5
What Is Methyl atrarate?
Methyl atrarate is a synthetic fragrance ingredient primarily encountered in niche perfumery and specialty cosmetic formulations. It contributes unique woody-earthy nuances that perfumers use to create depth and complexity. This molecule matters because it offers a sustainable alternative to certain natural extracts, allowing for consistent quality while avoiding supply chain issues associated with wild-harvested materials.
Safety Profile
GENERALLY SAFEWhat Does Methyl atrarate Smell Like?
Methyl atrarate presents a intriguing duality – opening with crisp, almost lichen-like mineralic facets that evoke damp forest stones, then unfolding into a dry, papery woodiness reminiscent of antique book bindings. The dry-down reveals subtle phenolic undertones that add leathery sophistication without overwhelming. Its moderate tenacity allows it to bridge between top and heart notes, behaving like a chameleon that amplifies adjacent materials while maintaining its distinctive character.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to enhance the vetiver’s earthy depth, methyl atrarate adds mineralic facets that create the illusion of ink drying on parchment.
Provides subtle flinty undertones that complement the citrus-woody structure, contributing to the fragrance’s distinctive mineral character.
2D Molecular Structure
SMILES: COC(=O)C1=C(O)C(C)=C(O)C=C1C
Chemistry, Properties & Perfumer Guide
The Chemistry
Methyl atrarate belongs to the ester class, specifically a methyl ester derivative of atraric acid. While not found in nature, it shares structural similarities with lichen-derived aromatic compounds. Industrial synthesis typically involves esterification reactions under controlled conditions. The molecule’s planar aromatic system contributes to its tenacity and distinctive odor profile.
Physical & Chemical Properties
| Appearance | White to off-white crystalline powder |
|---|---|
| Melting Point | Data not available |
| Solubility | Soluble in ethanol, poorly soluble in water |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 3% | Used as earthy-modifier |
| Home Fragrance | 0.1-0.5% | Up to 1% | Adds mineralic depth |
Classic Accords
Tip: Use sparingly in chypre bases to create intriguing mineralic effects without overwhelming floral notes.
Alternatives & Comparisons
Provides similar lichen-like effects with more pronounced mushroom undertones, useful when seeking greater biological realism.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA standards.
RIFM Assessment
Under evaluation by RIFM, preliminary data suggests low sensitization potential.
Sustainability
As a synthetic material, methyl atrarate offers consistent quality without environmental impact from wild harvesting. Production typically uses green chemistry principles with high atom economy.
Explore Methyl atrarate
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References
- Bauer et al. (2001). Synthetic Analogs of Lichen Substances. Journal of Natural Products.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID9041653
Physical Properties
| Molecular Weight | 196.202 g/mol🔬 EPA CompTox |
| Density | 1.39 g/cm^3🔬 EPA CTX |
| Boiling Point | 300.5 °C🔬 EPA CTX |
| Melting Point | 144.9 °C🔬 EPA CTX |
| Flash Point | 139.982 °C📊 OPERA |
| Refractive Index | 1.57 Dimensionless📊 OPERA |
| Molar Volume | 156.736 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.6 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.437 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.874 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.95 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg🔬 EPA CTX |
| Viscosity | 20.879 cP📊 OPERA |
| Surface Tension | 45.188 dyn/cm📊 OPERA |
| Thermal Conductivity | 149.016 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 66.76 Ų💻 Computed |
| H-Bond Donors | 2 count💻 Computed |
| H-Bond Acceptors | 4 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 51.439 cm^3/mol📊 OPERA |
| Polarizability | 20.392 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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