2,4-Dimethyl-4-phenyltetrahydrofuran (CAS 82461-14-1) — Woody Base Note Fragrance Ingredient
2,4-Dimethyl-4-phenyltetrahydrofuran
CAS 82461-14-1
What Is 2,4-Dimethyl-4-phenyltetrahydrofuran?
2,4-Dimethyl-4-phenyltetrahydrofuran is a synthetic fragrance ingredient used in perfumery to add woody, spicy, and slightly floral nuances. It is commonly found in modern fragrances where a sophisticated, long-lasting base note is desired. This ingredient matters because it enhances depth and complexity in perfumes, contributing to their unique olfactory signature.
Safety Profile
GENERALLY SAFEWhat Does 2,4-Dimethyl-4-phenyltetrahydrofuran Smell Like?
2,4-Dimethyl-4-phenyltetrahydrofuran offers a rich, woody aroma with subtle spicy undertones. Initially, it presents a slightly sharp, almost camphoraceous opening that quickly mellows into a warm, resinous heart. Over time, it evolves into a deep, velvety base note that lingers on the skin, reminiscent of aged woods and amber. Its dry-down is smooth and persistent, making it a valuable fixative in complex compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance woody accords, providing depth and longevity in modern fragrances.
2D Molecular Structure
SMILES: CC1CC(C)(CO1)C1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
2,4-Dimethyl-4-phenyltetrahydrofuran is a synthetic compound belonging to the tetrahydrofuran class. It is synthesized through catalytic hydrogenation of phenyl-substituted furans. Its structure allows for excellent stability and longevity in fragrance formulations. The phenyl group contributes to its woody, spicy character, while the tetrahydrofuran ring adds a subtle sweetness.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds depth and longevity |
| Home Fragrance | 0.5-3% | Up to 5% | Enhances woody accords |
Classic Accords
Tip: Use in small amounts to avoid overpowering other notes.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA.
RIFM Assessment
No specific RIFM assessment found.
Sustainability
As a synthetic ingredient, 2,4-Dimethyl-4-phenyltetrahydrofuran is produced in controlled environments, minimizing environmental impact. Its synthesis can be optimized for reduced waste and energy consumption.
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References
- PubChem Compound Summary for 2,4-Dimethyl-4-phenyltetrahydrofuran PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 82461-14-1Physical Properties
| Molecular Weight | 176.25 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.9🔬 PubChem |
| Boiling Point | 248 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0188 mmHg @ 25°C📊 OPERA |
| Flash Point | 100.5 °C🔬 EPA CompTox |
| Involatility Index | 0.0015💻 Calculated |
| log Kp (skin permeability) | -1.716💻 Calculated |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 3.1 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | floralfreshherbal• leffingwell |
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: DTXSID4051401
Physical Properties
| Molecular Weight | 176.259 g/mol🔬 EPA CompTox |
| Density | 0.992 g/cm^3🔬 EPA CTX |
| Boiling Point | 254.25 °C🔬 EPA CTX |
| Melting Point | 19.544 °C📊 OPERA |
| Flash Point | 100.5 °C🔬 EPA CTX |
| Refractive Index | 1.502 Dimensionless📊 OPERA |
| Molar Volume | 182.358 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.344 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.344 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.344 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.73 Log10 unitless📊 OPERA |
| Water Solubility | 0.004 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.019 mmHg🔬 EPA CTX |
| Viscosity | 3.743 cP📊 OPERA |
| Surface Tension | 33.826 dyn/cm📊 OPERA |
| Thermal Conductivity | 124.906 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 9.23 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 53.818 cm^3/mol📊 OPERA |
| Polarizability | 21.335 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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