Di-(2-ethylhexyl) adipate (CAS 103-23-1) — Citrus Non-olfactive Note Fragrance Ingredient
Di-(2-ethylhexyl) adipate
CAS 103-23-1
What Is Di-(2-ethylhexyl) adipate?
Di-(2-ethylhexyl) adipate is a synthetic ester commonly used as a plasticizer and in cosmetic formulations. It is found in flexible plastics, adhesives, and some personal care products. While primarily functional, it can influence fragrance longevity when used as a solvent. Its low volatility makes it useful for stabilizing more volatile fragrance components.
Safety Profile
GENERALLY SAFEWhat Does Di-(2-ethylhexyl) adipate Smell Like?
Di-(2-ethylhexyl) adipate is nearly odorless in pure form, presenting only a faint waxy character reminiscent of clean plastic tubing or unscented candle wax. As a solvent, it provides an inert background that doesn’t interfere with fragrance notes. In formulations, it imparts a subtle smoothing effect, slightly rounding sharper edges of other ingredients without adding its own olfactory signature.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Primarily functions as a solvent or carrier in fragrance applications rather than as an olfactive component.
2D Molecular Structure
SMILES: CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC
Chemistry, Properties & Perfumer Guide
The Chemistry
Di-(2-ethylhexyl) adipate is a diester formed from adipic acid and 2-ethylhexanol. As a synthetic compound, it’s produced through esterification reactions under controlled conditions. The molecule’s branched alkyl chains provide excellent plasticizing properties while maintaining stability. Its high molecular weight contributes to low volatility, making it useful for fragrance fixation without contributing its own scent.
Physical & Chemical Properties
| Boiling Point | 417 °C |
|---|---|
| Density | 0.926 g/cm³ |
| Flash Point | 196 °C |
| Vapor Pressure | 1.3 x 10⁻⁷ mmHg |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Functional carrier | 5-20% | Up to 30% | Used as solvent/fixative base |
Classic Accords
Tip: Use as a neutral carrier for sensitive fragrance materials requiring stabilization.
Alternatives & Comparisons
Alternative plasticizer with better solvency for some fragrance materials but with greater regulatory scrutiny.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under current IFRA standards.
RIFM Assessment
RIFM has assessed related plasticizers but no specific evaluation found for this ester.
Sustainability
As a synthetic petrochemical derivative, its environmental impact comes from manufacturing energy use. Biodegradation is slow but it shows low ecotoxicity. Some brands may prefer plant-derived alternatives for sustainability claims despite functional differences.
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References
- PubChem Compound Summary for CID 31211 PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 103-23-1Physical Properties
| Molecular Weight | 370.6 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 6.8🔬 PubChem |
| Boiling Point | 417.2 °C🔬 EPA CompTox |
| Vapor Pressure | 0.01 mmHg @ 25°C📊 OPERA |
| Flash Point | 196.1 °C🔬 EPA CompTox |
| Involatility Index | 0.0006💻 Calculated |
| log Kp (skin permeability) | -0.133💻 Calculated |
| SMILES | CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 6.8 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | citrusfloral• leffingwell |
| Functional Groups | esterether💻 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: DTXSID0020606
Physical Properties
| Molecular Weight | 370.574 g/mol🔬 EPA CompTox |
| Density | 0.923 g/cm^3🔬 EPA CTX |
| Boiling Point | 411.443 °C🔬 EPA CTX |
| Melting Point | -67.491 °C🔬 EPA CTX |
| Flash Point | 191.776 °C🔬 EPA CTX |
| Refractive Index | 1.451 Dimensionless📊 OPERA |
| Molar Volume | 399.401 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 8.94 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 7.135 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 7.135 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 10.83 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 0 mmHg🔬 EPA CTX |
| Viscosity | 12.662 cP📊 OPERA |
| Surface Tension | 30.956 dyn/cm📊 OPERA |
| Thermal Conductivity | 146.693 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 | 17 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 107.439 cm^3/mol📊 OPERA |
| Polarizability | 42.592 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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