5-Butyl-4-methyldihydrofuran-2(3H)-one (CAS 39212-23-2) — Sweet Middle Note Fragrance Ingredient
5-Butyl-4-methyldihydrofuran-2(3H)-one
CAS 39212-23-2
What Is 5-Butyl-4-methyldihydrofuran-2(3H)-one?
5-Butyl-4-methyldihydrofuran-2(3H)-one is a synthetic fragrance compound used to create creamy, lactonic notes in perfumes. You’ll encounter it in body creams, fine fragrances, and home scents. This molecule matters because it adds a smooth, milky character that balances sharper top notes and enhances floral compositions.
Safety Profile
USE WITH AWARENESSWhat Does 5-Butyl-4-methyldihydrofuran-2(3H)-one Smell Like?
This lactone delivers a rich, buttery creaminess reminiscent of warm milk with a subtle coconut undertone. Initially presents a slightly sharp dairy note that quickly rounds into a velvety, skin-like warmth. As it dries down, reveals a faintly woody-musky character that adds sophistication to its creamy profile. Exceptionally tenacious for a lactonic note, persisting through the heart phase.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a creamy counterpoint to the sandalwood base, smoothing the rough edges of the woody notes while adding a subtle milky texture that enhances the skin-scent effect.
Provides an invisible lactonic foundation that amplifies the cotton candy sweetness while preventing the composition from becoming cloying.
2D Molecular Structure
SMILES: CCCCC1OC(=O)CC1C
Chemistry, Properties & Perfumer Guide
The Chemistry
A γ-lactone with a butyl side chain at the 5-position and methyl group at the 4-position. Synthetic production typically involves cyclization of γ-hydroxy acids or oxidation of furans. The stereochemistry at the 4-position significantly impacts odor characteristics, with the (R)-enantiomer being more potent. Classified as an aliphatic lactone, sharing structural similarities with γ-nonalactone but with greater tenacity.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Odor Threshold | 0.05 ppm (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 3% | Lactonic modifier |
| Body Care | 0.1-0.5% | Up to 1% | Creamy enhancer |
Classic Accords
Tip: Use sparingly with aldehydes to create sophisticated cream-soda effects.
Alternatives & Comparisons
For stronger peach character while maintaining lactonic creaminess. Higher volatility but more cost-effective.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted under IFRA standards.
RIFM Assessment
Under evaluation for comprehensive safety assessment.
Sustainability
Synthetic production avoids agricultural land use. Manufacturing typically involves petrochemical feedstocks, though bio-based routes are being explored. No known ecological toxicity concerns at usage levels.
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References
- Bauer et al. (2001). Modern Lactone Chemistry. Journal of Agricultural and Food Chemistry. DOI:10.1021/jf0105328
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 39212-23-2Physical Properties
| Molecular Weight | 156.22 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.5🔬 PubChem |
| Boiling Point | 208 °C🔬 EPA CompTox |
| Vapor Pressure | 0.1585 mmHg @ 25°C📊 OPERA |
| Flash Point | 95.6 °C🔬 EPA CompTox |
| Involatility Index | 0.0137💻 Calculated |
| log Kp (skin permeability) | -1.878💻 Calculated |
| SMILES | CCCCC1C(CC(=O)O1)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 1.3 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | coconutcoumarinicwoody• leffingwell |
| Functional Groups | esterether💻 RDKit |
Sensory Thresholds
| Odor Detection Threshold | 1.2323 ppm (n=19)📖 van Gemert |
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: DTXSID90865948
Physical Properties
| Molecular Weight | 156.225 g/mol🔬 EPA CompTox |
| Density | 0.963 g/cm^3📊 OPERA |
| Boiling Point | 237.414 °C📊 OPERA |
| Melting Point | -8.635 °C📊 OPERA |
| Flash Point | 101.645 °C📊 OPERA |
| Refractive Index | 1.434 Dimensionless📊 OPERA |
| Molar Volume | 166.834 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.316 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.316 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.316 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.27 Log10 unitless📊 OPERA |
| Water Solubility | 0.015 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.066 mmHg📊 OPERA |
| Viscosity | 2.299 cP📊 OPERA |
| Surface Tension | 27.581 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 26.3 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 3 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 43.483 cm^3/mol📊 OPERA |
| Polarizability | 17.238 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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