Citronellyl ethyl oxalate (CAS 60788-25-2) — Floral Middle Note Fragrance Ingredient
Citronellyl ethyl oxalate
CAS 60788-25-2
What Is Citronellyl ethyl oxalate?
Citronellyl ethyl oxalate is a synthetic fragrance ingredient used to add fresh, floral, and slightly fruity nuances to perfumes and scented products. It’s commonly found in soaps, detergents, and fine fragrances. This ester contributes to the complexity and longevity of scents, making it valuable in modern perfumery.
Safety Profile
GENERALLY SAFEWhat Does Citronellyl ethyl oxalate Smell Like?
Citronellyl ethyl oxalate opens with a bright, fresh floralcy reminiscent of dewy rose petals and citrus zest. As it evolves, it reveals a subtle fruity undertone, like ripe peaches drizzled with honey. The dry-down is clean and slightly green, akin to freshly crushed leaves. Its behavior is linear yet nuanced, making it versatile in compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance the floral freshness and add a subtle fruity nuance, complementing the coconut and white flowers.
Adds a crisp, floral lift to the grapefruit and jasmine heart, creating a modern freshness.
2D Molecular Structure
SMILES: CCOC(=O)C(=O)OCCC(C)CCC=C(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
Citronellyl ethyl oxalate is an ester formed from citronellol and ethyl oxalate. It belongs to the class of synthetic fragrance compounds designed to mimic natural floral notes. Its synthesis typically involves esterification under controlled conditions to ensure purity and consistency. The molecule’s stability and low volatility make it ideal for lasting floral accords.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds floral freshness |
| Soaps & Detergents | 0.5-2% | Up to 5% | Enhances clean notes |
Classic Accords
Tip: Use in floral compositions to add a fresh, slightly fruity lift.
Alternatives & Comparisons
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
RIFM assessment pending. Generally recognized as safe for current usage levels.
Sustainability
Synthetic production ensures consistent quality and reduces reliance on natural resources. The process is optimized for minimal environmental impact, with waste management protocols in place.
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References
- PubChem Compound Summary for Citronellyl ethyl oxalate PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 60788-25-2Physical Properties
| Molecular Weight | 256.34 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4.4🔬 PubChem |
| Boiling Point | 280 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0013 mmHg @ 25°C📊 OPERA |
| Flash Point | 136.1 °C🔬 EPA CompTox |
| Involatility Index | 0.0001💻 Calculated |
| log Kp (skin permeability) | -1.14💻 Calculated |
| SMILES | CCOC(=O)C(=O)OCCC(C)CCC=C(C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 6.9 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | floralsweet• leffingwell |
| Functional Groups | esteretheralkene💻 RDKit |
| “Sweet, floral-musky odor with notes resembling those of Labdanum and Ambrette seed, or the sweet notes of Ambregris.”📖 Arctander | |
Sensory Thresholds
| Odor Detection Threshold | 0.014 ppm📖 van Gemert |
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: DTXSID8052275
Physical Properties
| Molecular Weight | 256.342 g/mol🔬 EPA CompTox |
| Density | 0.977 g/cm^3📊 OPERA |
| Boiling Point | 300.329 °C📊 OPERA |
| Melting Point | -20.046 °C📊 OPERA |
| Flash Point | 127.068 °C📊 OPERA |
| Refractive Index | 1.453 Dimensionless📊 OPERA |
| Molar Volume | 260.387 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.43 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.43 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.43 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.45 Log10 unitless📊 OPERA |
| Water Solubility | 0.002 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.001 mmHg📊 OPERA |
| Viscosity | 3.518 cP📊 OPERA |
| Surface Tension | 30.653 dyn/cm📊 OPERA |
| Thermal Conductivity | 145.78 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 52.6 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 4 count💻 Computed |
| Rotatable Bonds | 7 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 70.318 cm^3/mol📊 OPERA |
| Polarizability | 27.876 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.
