Calone (Methylbenzodioxepinone) (CAS 28940-11-6) — Green Heart Note Fragrance Ingredient
Calone (Methylbenzodioxepinone)
CAS 28940-11-6
What Is Calone (Methylbenzodioxepinone)?
Calone is a synthetic aroma molecule known for its fresh, marine, and watermelon-like scent. It’s commonly found in modern aquatic and fresh fragrances. This ingredient revolutionized perfumery by introducing a clean, ozonic quality that mimics sea breezes, making it essential for contemporary summer scents.
Safety Profile
GENERALLY SAFEWhat Does Calone (Methylbenzodioxepinone) Smell Like?
Calone opens with a crisp, aquatic burst reminiscent of sea spray and fresh watermelon rind. The heart evolves into a subtle metallic sheen, like sunlight glinting off waves, while the dry-down reveals a clean, slightly salty musk. It behaves like a synthetic sea breeze—ultra-modern yet strangely nostalgic.
Scent Profile
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Calone’s marine freshness defines this iconic aquatic, creating a shimmering water lily effect that revolutionized 90s perfumery.
Calone amplifies the ozonic freshness, making it a benchmark for modern masculine aquatics.
2D Molecular Structure
SMILES: CC1=CC=C2OCC(=O)COC2=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Calone (Methylbenzodioxepinone) is a synthetic lactone with a unique oxacycloheptadiene ring. Its marine character arises from specific oxygen-containing functional groups. Industrially produced via controlled oxidation of appropriate precursors, its molecular geometry allows exceptional diffusion and tenacity despite its lightness.
Physical & Chemical Properties
| Boiling Point | Not publicly documented |
|---|---|
| Density | Not publicly documented |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Creates aquatic effects |
| Functional Fragrances | 0.1-0.5% | Up to 1% | Adds freshness to detergents |
Classic Accords
Tip: Use Calone sparingly—it’s powerful and can dominate compositions.
Alternatives & Comparisons
A more floral-aldehydic alternative when a softer marine effect is desired.
A stabilized version with similar characteristics but better longevity.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. IFRA, REACH, EU Cosmetics Regulation standards update periodically. Consult current IFRA Standards Library before formulating. Not legal or regulatory advice.
IFRA Status
No IFRA restrictions. Considered safe at typical usage levels.
EU Allergen Declaration
Not listed as an EU allergen.
RIFM Assessment
RIFM considers Calone safe for current fragrance applications.
Sustainability
As a synthetic material, Calone’s environmental impact depends on manufacturing processes. It’s more sustainable than harvesting natural marine materials but requires energy-intensive production.
Explore Calone (Methylbenzodioxepinone)
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References
- Arctander, S. (1969). Perfume and Flavor Chemicals. Montclair: Steffen Arctander.
- PubChem. Calone. Retrieved from NCBI. PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Mar 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID0047165
Physical Properties
| Molecular Weight | 178.187 g/mol🔬 EPA CompTox |
| Density | 1.35 g/cm^3🔬 EPA CTX |
| Boiling Point | 267 °C🔬 EPA CTX |
| Melting Point | 37.9 °C🔬 EPA CTX |
| Flash Point | 135 °C🔬 EPA CTX |
| Refractive Index | 1.538 Dimensionless📊 OPERA |
| Molar Volume | 148.86 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.95 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 1.367 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.367 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.3 Log10 unitless📊 OPERA |
| Water Solubility | 0.077 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.007 mmHg🔬 EPA CTX |
| Viscosity | 8.127 cP📊 OPERA |
| Surface Tension | 41.53 dyn/cm📊 OPERA |
| Thermal Conductivity | 147.556 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 | 0 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 46.593 cm^3/mol📊 OPERA |
| Polarizability | 18.471 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.
