Nonanediyl diacetate (CAS 39864-15-8) — Green Base Note Fragrance Ingredient
Nonanediyl diacetate
CAS 39864-15-8
What Is Nonanediyl diacetate?
Nonanediyl diacetate is a synthetic fragrance ingredient used in perfumes and scented products. It’s a laboratory-created compound that contributes to complex scent profiles. This ingredient matters because it helps perfumers create long-lasting, nuanced fragrances by acting as a fixative that slows the evaporation of more volatile components.
Safety Profile
GENERALLY SAFEWhat Does Nonanediyl diacetate Smell Like?
Nonanediyl diacetate presents a subtle, waxy-green odor with faint floral undertones. In fragrance compositions, it acts primarily as a fixative rather than a dominant scent note. Its dry-down reveals a clean, slightly soapy character that helps blend and extend other fragrance components. The odor profile is neutral enough to support both floral and woody accords without introducing harshness.
2D Molecular Structure
SMILES: CCCCCCCCC(OC(=O)C)OC(=O)C
Chemistry, Properties & Perfumer Guide
The Chemistry
Nonanediyl diacetate is a diester compound formed from nonanediol and acetic acid. As a synthetic material, it’s produced through esterification reactions under controlled conditions. The molecule features two acetate groups attached to a nine-carbon chain, giving it moderate polarity and volatility. Its structure makes it particularly useful as a fixative in fragrance formulations.
Physical & Chemical Properties
| Appearance | Colorless liquid |
|---|---|
| Molecular Weight | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Used as fixative |
| Functional Fragrance | 0.1-1% | Up to 3% | For longevity |
Classic Accords
Tip: Use as a subtle fixative in base notes to extend fragrance longevity without altering scent profile.
Alternatives & Comparisons
Similar fixative properties with slightly more pronounced waxy character.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply to this material.
RIFM Assessment
No RIFM safety assessment currently available for this material.
Sustainability
As a synthetic material, nonanediyl diacetate has consistent quality and doesn’t depend on natural resources. Its production can be optimized for minimal environmental impact through green chemistry principles. The synthetic origin makes it vegan-friendly and avoids agricultural supply chain issues.
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Layer 3 · Practical
- Molecular Weight: 244.33 g/mol
- LogP (XLogP): 4.10
Ingredient Data Sheet
CAS 39864-15-8Physical Properties
| Molecular Weight | 244.33 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4.1🔬 PubChem |
| log Kp (skin permeability) | -1.279💻 Calculated |
| SMILES | CCCCCCCCC(OC(=O)C)OC(=O)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: DTXSID7052074
Physical Properties
| Molecular Weight | 244.33 g/mol🔬 PubChem |
Partition & Solubility
| LogP (Octanol-Water) | 4.1 Log10 unitless🔬 PubChem |
Molecular Descriptors
| Topological Polar Surface Area | 52.6 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 4 count💻 Computed |
| Rotatable Bonds | 9 count💻 Computed |
| Molar Refractivity | 65.31 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.
