2-Furfuryleneoctanal (CAS 67801-17-6) — Woody Base Note Fragrance Ingredient
2-Furfuryleneoctanal
CAS 67801-17-6
What Is 2-Furfuryleneoctanal?
2-Furfuryleneoctanal is a synthetic fragrance ingredient used to add warm, woody, and slightly spicy nuances to perfumes. It’s commonly found in fine fragrances and personal care products. This molecule enhances depth and longevity in compositions, making it valuable for creating sophisticated scent profiles.
Safety Profile
USE WITH AWARENESSWhat Does 2-Furfuryleneoctanal Smell Like?
2-Furfuryleneoctanal offers a complex aroma profile with initial warm, woody notes that evolve into a slightly spicy, caramel-like sweetness. The dry-down reveals a lingering, slightly animalic undertone, adding depth and intrigue to fragrances. Its behavior is reminiscent of amber, with a smooth transition from top to base notes.
2D Molecular Structure
SMILES: CCCCCCC(C=O)=CC1=CC=CO1
Chemistry, Properties & Perfumer Guide
The Chemistry
2-Furfuryleneoctanal is a synthetic aldehyde with a furan ring, contributing to its unique olfactory properties. It is typically synthesized through controlled oxidation processes. The molecule’s structure allows for excellent stability and longevity in fragrance formulations, making it a favorite among perfumers for base note compositions.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Adds depth and warmth |
| Personal Care | 0.5-2% | Up to 3% | Enhances longevity |
Classic Accords
Tip: Use sparingly to avoid overpowering other notes.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions.
RIFM Assessment
Under review by RIFM for safety assessment.
Sustainability
As a synthetic ingredient, 2-Furfuryleneoctanal is produced in controlled environments with minimal environmental impact. Its synthetic origin ensures consistent quality and reduces reliance on natural resources.
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Ingredient Data Sheet
CAS 67801-17-6Physical Properties
| Molecular Weight | 206.28 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.9🔬 PubChem |
| Boiling Point | 274 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0063 mmHg @ 25°C📊 OPERA |
| Flash Point | 140.1 °C🔬 EPA CompTox |
| Involatility Index | 0.0005💻 Calculated |
| log Kp (skin permeability) | -1.189💻 Calculated |
| SMILES | CCCCCCC(=CC1=CC=CO1)C=O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 4.7 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | aldehydealkenearomatic💻 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: DTXSID9070612
Physical Properties
| Molecular Weight | 206.285 g/mol🔬 EPA CompTox |
| Density | 0.992 g/cm^3📊 OPERA |
| Boiling Point | 284.197 °C📊 OPERA |
| Melting Point | 37.809 °C📊 OPERA |
| Flash Point | 141.258 °C📊 OPERA |
| Refractive Index | 1.507 Dimensionless📊 OPERA |
| Molar Volume | 209.364 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.776 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.776 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.776 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.05 Log10 unitless📊 OPERA |
| Water Solubility | 0.002 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.002 mmHg📊 OPERA |
| Viscosity | 4.807 cP📊 OPERA |
| Surface Tension | 34.631 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 30.21 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 7 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 62.269 cm^3/mol📊 OPERA |
| Polarizability | 24.685 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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