Ethyl 2-methyl-1,3-dioxolane-2-acetate (CAS 6413-10-1) — Green Top Note Fragrance Ingredient
Ethyl 2-methyl-1,3-dioxolane-2-acetate
CAS 6413-10-1
What Is Ethyl 2-methyl-1,3-dioxolane-2-acetate?
Ethyl 2-methyl-1,3-dioxolane-2-acetate is a synthetic fragrance ingredient used to add fruity, green nuances to perfumes. You’ll encounter it in modern floral and fresh fragrances. This compound matters because it provides a unique balance between fresh top notes and subtle sweetness, making it versatile for various scent profiles.
Safety Profile
GENERALLY SAFEWhat Does Ethyl 2-methyl-1,3-dioxolane-2-acetate Smell Like?
Ethyl 2-methyl-1,3-dioxolane-2-acetate offers a crisp, fruity-green aroma reminiscent of unripe apples and fresh-cut grass. Initially sharp and slightly metallic, it evolves into a softer, sweeter character akin to pear skins. The dry-down reveals a subtle woody undertone, making it a great bridge between top and heart notes.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance the green, fruity top notes, providing a crisp opening that transitions smoothly into floral heart notes.
2D Molecular Structure
SMILES: CCOC(=O)CC1(C)OCCO1
Chemistry, Properties & Perfumer Guide
The Chemistry
Ethyl 2-methyl-1,3-dioxolane-2-acetate is a synthetic ester derived from dioxolane and acetic acid. It is typically produced through esterification reactions under controlled conditions. Its molecular structure allows for good stability and compatibility with other fragrance ingredients.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 2-5% | Up to 10% | Adds fresh, green nuances |
| Functional Fragrances | 1-3% | Up to 5% | Used in detergents and air fresheners |
Classic Accords
Tip: Use in small amounts to enhance fresh top notes without overpowering.
Alternatives & Comparisons
A simpler ester with a more straightforward fruity smell, less green nuance.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply.
EU Allergen Declaration
Not listed as an EU allergen.
RIFM Assessment
No RIFM safety assessment currently available.
Sustainability
Synthesized in labs, this compound has minimal environmental impact. Its production can be optimized for low waste and energy efficiency.
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References
- PubChem Compound Summary for Ethyl 2-methyl-1,3-dioxolane-2-acetate PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 6413-10-1Physical Properties
| Molecular Weight | 174.19 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 0.2🔬 PubChem |
| Boiling Point | 212 °C🔬 EPA CompTox |
| Vapor Pressure | 0.8101 mmHg @ 25°C📊 OPERA |
| Flash Point | 92 °C🔬 EPA CompTox |
| Involatility Index | 0.0662💻 Calculated |
| log Kp (skin permeability) | -3.621💻 Calculated |
| SMILES | CCOC(=O)CC1(OCCO1)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | applefruitypinesweetwoody• leffingwell |
| Functional Groups | esterether💻 RDKit |
| “danum in many non-floral fragrance types. This cyclic ketal has found some use in See also: Ethyl -2,4-dimethyl-f,3-dioxolane-2- perfumery due to its pleasant warm-fruity, acetate, winey and sweet odor. Powerful leafy-green, but rather gassy- CIIH160Z = 180.25 pungent odor of moderate to good tenacity.”📖 Arctander | |
Trade Names
| Fructone (IFF), Jasmaprunat (Symrise).📖 Surburg |
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: DTXSID3041241
Physical Properties
| Molecular Weight | 174.196 g/mol🔬 EPA CompTox |
| Density | 1.086 g/cm^3🔬 EPA CTX |
| Boiling Point | 212 °C🔬 EPA CTX |
| Melting Point | -6.458 °C📊 OPERA |
| Flash Point | 84.583 °C🔬 EPA CTX |
| Refractive Index | 1.428 Dimensionless📊 OPERA |
| Molar Volume | 163.293 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 0.8 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 0.819 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 0.819 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.84 Log10 unitless📊 OPERA |
| Water Solubility | 0.716 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.81 mmHg🔬 EPA CTX |
| Viscosity | 2.169 cP📊 OPERA |
| Surface Tension | 34.082 dyn/cm📊 OPERA |
| Thermal Conductivity | 135.719 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 44.76 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 4 count💻 Computed |
| Rotatable Bonds | 3 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 42.026 cm^3/mol📊 OPERA |
| Polarizability | 16.661 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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