Isononyl alcohol (isomer unspecified) (CAS 27458-94-2) — Green Carrier Note Fragrance Ingredient
Isononyl alcohol (isomer unspecified)
CAS 27458-94-2
What Is Isononyl alcohol (isomer unspecified)?
Isononyl alcohol is a synthetic alcohol used primarily as a solvent or intermediate in fragrance manufacturing. It’s rarely encountered directly by consumers but may appear in trace amounts in some perfumes and household products. This ingredient helps stabilize fragrance formulas and modify scent diffusion, though its odor contribution is minimal compared to other alcohol carriers.
Safety Profile
GENERALLY SAFEWhat Does Isononyl alcohol (isomer unspecified) Smell Like?
Isononyl alcohol presents a faint, waxy odor with subtle green-metallic undertones. Its scent profile is relatively neutral compared to other fragrance alcohols, acting more as a carrier than a distinct olfactory note. The aroma remains linear without significant top-to-base evolution, drying down to an almost imperceptible trace that primarily serves to extend other fragrance materials.
2D Molecular Structure
SMILES: CC(C)CCCCCCO
Chemistry, Properties & Perfumer Guide
The Chemistry
Isononyl alcohol belongs to the branched-chain aliphatic alcohol family, synthesized via hydroformylation of octene followed by hydrogenation. Its molecular structure features a nine-carbon chain with varying branch positions depending on the manufacturing process. The unspecific isomer designation indicates a commercial mixture rather than a single defined structure. This material serves primarily as a solvent and viscosity modifier in fragrance applications.
Physical & Chemical Properties
| Appearance | Colorless liquid |
|---|---|
| Boiling Point | Approx. 200-220 °C (mixture) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Functional Fragrances | 5-15% | Up to 30% | Solvent base |
| Fine Fragrance | 1-3% | Up to 5% | Carrier alcohol |
Classic Accords
Tip: Use as a neutral diluent for fragrance concentrates requiring alcohol-soluble but non-reactive carriers.
Alternatives & Comparisons
Alternative carrier with higher boiling point for heat-stable applications
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions apply (2019 Amendment 49).
GHS Classification
RIFM Assessment
Not currently evaluated by RIFM due to low fragrance use priority.
Sustainability
Produced from petrochemical feedstocks, isononyl alcohol represents standard industry practice for synthetic solvents. Some manufacturers offer bio-based alternatives with similar properties. The environmental impact is comparable to other C9 alcohol derivatives, with typical VOC considerations during application.
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References
- ECHA Registered Substances Database ECHA 27458-94-2
- OECD Screening Information Dataset SIAM 18
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPerfumer’s Notes
MW: 144.25
LogP: 3.5
Ingredient Data Sheet
CAS 27458-94-2Physical Properties
| Molecular Weight | 144.25 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.5🔬 PubChem |
| log Kp (skin permeability) | -1.095💻 Calculated |
| SMILES | CC(C)CCCCCCO🔬 PubChem |
Odor & Flavor
| Functional Groups | alcohol💻 RDKit |
| “Relatively powerful, oily-herbaceous, in dilution sweet odor, but not nearly as floral as n-Nonylalcohol. The overall impression is”📖 Arctander | |
Flavor Notes (Arctander)
| “It is rarely used as such in perfumes or flavors, but it is mentioned in this work because of the considerable interest the perfume industry has had in the corresponding aldehyde, and, to a lesser degree, in the Acetate of this alcohol, see the succeeding monograph.”📖 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: DTXSID6029753
Physical Properties
| Molecular Weight | 144.25 g/mol🔬 PubChem |
Partition & Solubility
| LogP (Octanol-Water) | 3.5 Log10 unitless🔬 PubChem |
Molecular Descriptors
| Topological Polar Surface Area | 20.23 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 6 count💻 Computed |
| Molar Refractivity | 45.01 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.
