Diisopropyl adipate (CAS 6938-94-9) — Citrus Carrier Note Fragrance Ingredient
Diisopropyl adipate
CAS 6938-94-9
What Is Diisopropyl adipate?
Diisopropyl adipate is a synthetic ester commonly used as a solvent and emollient in perfumes and cosmetics. It helps blend fragrance oils while leaving skin feeling smooth. This ingredient matters because it improves product performance without adding scent, making fragrances last longer on skin while maintaining a lightweight texture.
Safety Profile
GENERALLY SAFEWhat Does Diisopropyl adipate Smell Like?
Diisopropyl adipate is virtually odorless, making it an ideal carrier for fragrances where scent neutrality is desired. Its clean, slightly waxy character doesn’t interfere with delicate top notes or complex accords. The material evaporates evenly without leaving olfactory traces, allowing perfumers to build longevity without altering the intended scent profile.
2D Molecular Structure
SMILES: CC(C)OC(=O)CCCCC(=O)OC(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
Diisopropyl adipate is a diester formed from adipic acid and isopropanol. As a synthetic ester, it’s produced through acid-catalyzed esterification reactions. The molecule features two ester functional groups separated by a four-carbon chain, giving it balanced polarity that contributes to its solvent properties. Its symmetrical structure promotes stability and predictable evaporation rates in fragrance applications.
Physical & Chemical Properties
| Appearance | Colorless liquid |
|---|---|
| Solubility | Soluble in alcohols and oils |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 5-20% | Up to 30% | Solvent and fixative |
| Body Care | 3-10% | Up to 15% | Emollient carrier |
Classic Accords
Tip: Use as a neutral base for concentrated perfume oils to improve skin feel and longevity.
Alternatives & Comparisons
Another neutral carrier with slightly different solubility profile, often used in alcohol-based perfumes.
Alternative emollient ester with similar solvent properties but different evaporation rate.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted by IFRA
RIFM Assessment
Considered safe for use in fragrances based on RIFM assessments.
Sustainability
As a synthetic material, diisopropyl adipate production doesn’t rely on natural resources. Its manufacturing process is well-established with minimal environmental impact when properly managed. The material’s efficiency as a carrier reduces overall formulation waste.
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References
- Cosmetic Ingredient Review (Year). Safety Assessment of Diisopropyl Adipate.
- PubChem Compound Summary for Diisopropyl adipate PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 6938-94-9Physical Properties
| Molecular Weight | 230.3 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.2🔬 PubChem |
| Boiling Point | 251 °C🔬 EPA CompTox |
| Flash Point | 120 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -2.543💻 Calculated |
| SMILES | CC(C)OC(=O)CCCCC(=O)OC(C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
Odor & Flavor
| Primary Descriptors | fruity• leffingwell |
| Functional Groups | esterether💻 RDKit |
| “It has no odor value, but it will, if it is present in high proportion, have a depressing effect upon the overall odor of the composition. In case of use as an Oakmoss solvent/plasticizer, the material will only be present at the level of a few percent, and not influence the odor.”📖 Arctander | |
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: DTXSID5027641
Physical Properties
| Molecular Weight | 230.304 g/mol🔬 EPA CompTox |
| Density | 0.958 g/cm^3🔬 EPA CTX |
| Boiling Point | 252 °C🔬 EPA CTX |
| Melting Point | -1.882 °C🔬 EPA CTX |
| Flash Point | 111.667 °C🔬 EPA CTX |
| Refractive Index | 1.435 Dimensionless📊 OPERA |
| Molar Volume | 234.334 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.209 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.631 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.631 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.3 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.009 mmHg📊 OPERA |
| Viscosity | 3.42 cP📊 OPERA |
| Surface Tension | 30.144 dyn/cm📊 OPERA |
| Thermal Conductivity | 141.492 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 | 61.11 cm^3/mol📊 OPERA |
| Polarizability | 24.226 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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