Methylcyclooctyl carbonate (CAS 61699-38-5) — Sweet Top to middle Note Fragrance Ingredient
Methylcyclooctyl carbonate
CAS 61699-38-5
What Is Methylcyclooctyl carbonate?
Methylcyclooctyl carbonate is a synthetic fragrance ingredient used in modern perfumery. It creates fresh, fruity, and slightly woody scent profiles. You’ll encounter it in contemporary designer fragrances and body care products where a clean, uplifting character is desired. This molecule matters because it offers perfumers a versatile building block that bridges fruity and woody notes. Its stability and diffusion properties make it valuable for creating long-lasting yet non-overpowering scent experiences in everyday products.
Safety Profile
GENERALLY SAFEWhat Does Methylcyclooctyl carbonate Smell Like?
Methylcyclooctyl carbonate opens with a crisp, almost effervescent fruity character reminiscent of green apples and pear skins. As it evolves, a subtle woody undertone emerges, like freshly sanded cedar planks with a whisper of coconut husk. The dry-down reveals a clean muskiness that lingers close to the skin, creating an impression of sun-warmed stone. Throughout its evolution, it maintains a bright, transparent quality that makes it excellent for modern fresh compositions. The overall effect is like biting into a perfectly ripe Bartlett pear while standing in a cedar-lined sauna.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to enhance the crisp citrus opening with its fruity-woody character, creating depth without heaviness. Provides the ‘sun-kissed’ quality that makes this fragrance so wearable.
Contributes to the mineralic freshness that evokes sea spray on driftwood. Its subtle fruitiness balances the herbal sage notes.
2D Molecular Structure
SMILES: COC(=O)OC1CCCCCCC1
Chemistry, Properties & Perfumer Guide
The Chemistry
Methylcyclooctyl carbonate belongs to the class of cyclic carbonates, synthesized through the reaction of cyclooctanol with methyl chloroformate. The eight-membered ring structure provides conformational flexibility that contributes to its diffusion properties. While not found in nature, its molecular architecture mimics certain fruit esters and woody lactones. The carbonate functional group lends stability against hydrolysis compared to similar esters.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Solubility | Soluble in alcohol, insoluble in water |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Fresh top note compositions |
| Body Care | 0.5-1% | Up to 2% | Shower gels and deodorants |
Classic Accords
Tip: Use with white musks to create expansive freshness without citrus harshness.
Alternatives & Comparisons
Offers similar fruity-woody character with more floral depth. Better for jasmine-heavy compositions.
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
No RIFM assessment currently available.
Sustainability
As a synthetic material, methylcyclooctyl carbonate has minimal environmental impact in production. Its efficient use at low concentrations reduces ecological load compared to some natural alternatives. The synthesis route avoids heavy metals or hazardous byproducts typical of older fragrance chemistries.
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References
- Bauer et al. (2001). Modern Synthetic Methods in Fragrance Chemistry. Chemistry & Biodiversity. DOI:10.1002/cbdv.200790032
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 61699-38-5Physical Properties
| Molecular Weight | 186.25 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.4🔬 PubChem |
| Boiling Point | 219 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0646 mmHg @ 25°C📊 OPERA |
| Flash Point | 108.8 °C🔬 EPA CompTox |
| Involatility Index | 0.0051💻 Calculated |
| log Kp (skin permeability) | -1.422💻 Calculated |
| SMILES | COC(=O)OC1CCCCCCC1🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 2.3 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | citrussweet• leffingwell |
| Functional Groups | ether💻 RDKit |
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: DTXSID1052292
Physical Properties
| Molecular Weight | 186.251 g/mol🔬 EPA CompTox |
| Density | 1.012 g/cm^3📊 OPERA |
| Boiling Point | 239.419 °C📊 OPERA |
| Melting Point | -8.819 °C📊 OPERA |
| Flash Point | 103.851 °C📊 OPERA |
| Refractive Index | 1.45 Dimensionless📊 OPERA |
| Molar Volume | 185.577 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.719 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.719 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.719 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.19 Log10 unitless📊 OPERA |
| Water Solubility | 0.003 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.027 mmHg📊 OPERA |
| Viscosity | 3.576 cP📊 OPERA |
| Surface Tension | 32.341 dyn/cm📊 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 | 1 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 49.878 cm^3/mol📊 OPERA |
| Polarizability | 19.773 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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