4-(4-Methyl-3-penten-1-yl)-2(5H)-furanone (CAS 61315-75-1) — Sweet Heart to base Note Fragrance Ingredient
4-(4-Methyl-3-penten-1-yl)-2(5H)-furanone
CAS 61315-75-1
What Is 4-(4-Methyl-3-penten-1-yl)-2(5H)-furanone?
4-(4-Methyl-3-penten-1-yl)-2(5H)-furanone is a synthetic fragrance ingredient used to add fruity, caramel-like nuances to perfumes and flavored products. It’s found in everything from luxury fragrances to gourmand body care. This molecule matters because it bridges fruity and sweet accords, creating modern scent profiles without relying on traditional vanilla or citrus notes.
Safety Profile
GENERALLY SAFEWhat Does 4-(4-Methyl-3-penten-1-yl)-2(5H)-furanone Smell Like?
Opens with intense, jammy cassis sweetness reminiscent of blackcurrant candy, evolving into a creamy lactonic character akin to warm milk caramel. The dry-down reveals subtle woody undertones that prevent cloying sweetness. Unlike simpler furanones, this maintains remarkable tenacity – a 3D effect where the fruity top persists alongside developing gourmand depth.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Provides the narcotic fruity core that blends with truffle and dark chocolate notes, creating an addictive gourmand-floral hybrid.
Used as a modern alternative to ethyl maltol, giving longevity to the praline accord without powderiness.
2D Molecular Structure
SMILES: CC(C)=CCCC1=CC(=O)OC1
Chemistry, Properties & Perfumer Guide
The Chemistry
A γ-lactone derivative with an unsaturated side chain, this furanone exemplifies how minor structural changes impact olfaction. The methylpentenyl group introduces steric hindrance that slows hydrolysis compared to simpler lactones. Industrial synthesis typically involves cyclization of keto-acids with careful control of double bond geometry to preserve the desired fruity character.
Physical & Chemical Properties
| Boiling Point | Estimated 250-280°C |
|---|---|
| Density | ~1.05 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 3% | Adds diffusion to fruity-floral bases |
| Body Care | 0.1-0.5% | Up to 1% | Boosts berry accords without staining |
Classic Accords
Tip: Use with ionones to create dimensional fruit effects that avoid candy-like simplicity.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted under IFRA standards. Monitoring for sensitization potential continues.
EU Allergen Declaration
Not listed in EU allergen regulations.
RIFM Assessment
Under review by RIFM for comprehensive safety assessment.
Sustainability
Synthesized from petrochemical precursors, though carbon efficiency is improving with modern catalytic methods. Not known to bioaccumulate. Some producers now offer bio-based routes using fermentation-derived intermediates.
Explore 4-(4-Methyl-3-penten-1-yl)-2(5H)-furanone
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
References
- PubChem Compound Summary for 4-(4-Methyl-3-penten-1-yl)-2(5H)-furanone PubChem CID pending
- Sell CS (2006). ‘The Chemistry of Fragrances’. RSC Publishing.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID30452932
Physical Properties
| Molecular Weight | 166.22 g/mol🔬 EPA CompTox |
| Density | 1.001 g/cm^3📊 OPERA |
| Boiling Point | 265.453 °C📊 OPERA |
| Melting Point | 8.186 °C📊 OPERA |
| Flash Point | 120.255 °C📊 OPERA |
| Refractive Index | 1.49 Dimensionless📊 OPERA |
| Molar Volume | 164.558 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.443 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.443 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.443 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.97 Log10 unitless📊 OPERA |
| Water Solubility | 0.021 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.006 mmHg📊 OPERA |
| Viscosity | 2.381 cP📊 OPERA |
| Surface Tension | 32.939 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 | 47.541 cm^3/mol📊 OPERA |
| Polarizability | 18.847 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.
