Di-isodecyl adipate (CAS 27178-16-1) — Woody Base Note Fragrance Ingredient
Di-isodecyl adipate
CAS 27178-16-1
What Is Di-isodecyl adipate?
Di-isodecyl adipate is a synthetic ester commonly used as a plasticizer in flexible PVC products like vinyl flooring and medical tubing. It provides durability without strong odors. While not a traditional fragrance ingredient, its low volatility and skin-friendly properties make it useful in long-wearing cosmetic formulations where it helps other scent molecules last longer.
Safety Profile
GENERALLY SAFEWhat Does Di-isodecyl adipate Smell Like?
Di-isodecyl adipate is nearly odorless when pure, with just a faint waxy character reminiscent of unscented candle wax or new vinyl upholstery. Its primary function is as a carrier rather than an olfactive contributor, though some batches may have subtle clean plastic notes akin to a brand-new shower curtain.
2D Molecular Structure
SMILES: C*.C*.CCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCC |lp:13:2,15:2,21:2,22:2,m:1:23.24.25.26.27.28.29.30,3:12.11.10.9.8.7.6.5|
Chemistry, Properties & Perfumer Guide
The Chemistry
Diester formed from adipic acid and isodecyl alcohol. Belongs to the family of adipate esters valued for their low migration rates and excellent compatibility with polymers. Synthesized via esterification under acidic conditions with typical industrial purity >99%. Lacks chirality due to symmetrical structure.
Physical & Chemical Properties
| Boiling Point | >200 °C |
|---|---|
| Flash Point | >150 °C |
| Density | ~0.92 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Cosmetics | 1-5% | Up to 10% | Plasticizer for nail polish |
| Fragrance Fixative | 0.5-2% | Up to 3% | Extends longevity |
Classic Accords
Tip: Use to modify viscosity and reduce volatility of top notes in functional fragrances.
Alternatives & Comparisons
Lower molecular weight alternative with similar plasticizing properties but slightly higher odor potential.
Bio-based plasticizer option for cleaner formulations with comparable technical performance.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted by IFRA – no known fragrance-specific limitations.
RIFM Assessment
Not currently assessed by RIFM due to non-fragrance primary use.
Sustainability
Petroleum-derived but increasingly produced using recycled adipic acid. Biodegradation studies show moderate environmental persistence. Preferred over phthalates in eco-conscious formulations despite higher cost.
Explore Di-isodecyl adipate
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References
- PubChem Compound Summary for Di-isodecyl adipate PubChem CID
- Plasticizers Market Analysis Report 2023 Industry Data
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 27178-16-1Physical Properties
| Molecular Weight | 426.7 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 9🔬 PubChem |
| log Kp (skin permeability) | 1.087💻 Calculated |
| SMILES | CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C🔬 PubChem |
Odor & Flavor
| 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: DTXSID1027924
Physical Properties
| Molecular Weight | 426.7 g/mol🔬 PubChem |
Partition & Solubility
| LogP (Octanol-Water) | 8.302 dimensionless💻 Computed |
Molecular Descriptors
| Topological Polar Surface Area | 52.6 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 4 count💻 Computed |
| Rotatable Bonds | 21 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 125.47 cm^3/mol💻 Computed |
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.
