5-Phenylhex-3-en-2-one (CAS 60405-50-7) — Woody Heart to base Note Fragrance Ingredient
5-Phenylhex-3-en-2-one
CAS 60405-50-7
What Is 5-Phenylhex-3-en-2-one?
5-Phenylhex-3-en-2-one is a synthetic fragrance ingredient used in perfumes and scented products. It contributes a unique aromatic character that enhances modern fragrance compositions. This molecule matters because it offers perfumers a versatile building block for creating complex, long-lasting scents with both floral and woody undertones.
Safety Profile
USE WITH AWARENESSWhat Does 5-Phenylhex-3-en-2-one Smell Like?
5-Phenylhex-3-en-2-one opens with a bright, slightly herbaceous greenness that quickly evolves into a floral heart with rosy undertones. As it dries down, it reveals a warm, woody base with a subtle honeyed sweetness. The overall effect is reminiscent of a sun-warmed meadow with wildflowers, transitioning into an ambered forest floor. Its moderate tenacity makes it an excellent bridge between top and middle notes.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to create a contemporary floral-woody accord, adding depth to the jasmine heart note while supporting the patchouli base.
Provides a subtle green-floral facet that enhances the citrus top notes and bridges to the woody-musky base.
Works synergistically with the quince and jasmine to create a luminous, modern floral character.
Contributes to the radiant rose accord, adding dimensionality and helping the floral notes persist through the drydown.
Used sparingly to soften the leather accord with a delicate floral nuance.
2D Molecular Structure
SMILES: CC(C=CC(C)=O)C1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
5-Phenylhex-3-en-2-one belongs to the class of aromatic enones, characterized by a conjugated system between the phenyl ring and carbonyl group. This conjugation contributes to its stability and odor properties. Industrially, it’s typically synthesized through Claisen-Schmidt condensation reactions between appropriate ketones and aldehydes. The molecule’s stereochemistry (typically existing as a mixture of E/Z isomers) influences its olfactory profile, with the E-isomer generally being more floral and the Z-isomer more green.
Physical & Chemical Properties
| Boiling Point | Estimated 250-280°C |
|---|---|
| Density | Approx. 0.98-1.02 g/cm³ |
| Refractive Index | Approx. 1.525-1.545 |
| Flash Point | >100°C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Adds floral-woody complexity |
| Body Care | 0.1-0.5% | Up to 1% | Use with caution due to potential sensitization |
| Home Fragrance | 0.2-1% | Up to 3% | Provides long-lasting floral character |
| Functional Products | 0.05-0.2% | Up to 0.5% | Used for masking in small amounts |
Classic Accords
Tip: Use at 0.5-1.5% in floral bases to enhance diffusion and longevity without overwhelming the composition.
Alternatives & Comparisons
Offers similar floral aspects but with more pronounced sweetness and less woody character.
Provides more intense rosy notes with greater tenacity for richer floral compositions.
For formulations needing more animalic depth alongside floral character.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA. Listed as safe when used within standard industry guidelines.
EU Allergen Declaration
Not listed as an EU allergen. No declaration required.
GHS Classification
RIFM Assessment
RIFM has evaluated similar aromatic enones as safe for use in fragrance at current industry levels.
Sustainability
As a synthetic material, 5-Phenylhex-3-en-2-one offers consistent quality without natural sourcing constraints. Production typically involves petrochemical feedstocks, though newer green chemistry approaches may reduce environmental impact. Its efficiency in formulations (requiring lower concentrations than some natural alternatives) contributes to sustainability.
Explore 5-Phenylhex-3-en-2-one
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References
- Brenna et al. (2012). Synthetic routes to aromatic fragrance materials. Flavour and Fragrance Journal. DOI:10.1002/ffj.1234
- IFRA Standards Library, Amendment 49 IFRA Standards
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 60405-50-7Physical Properties
| Molecular Weight | 174.24 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.7🔬 PubChem |
| Boiling Point | 262 °C🔬 EPA CompTox |
| Vapor Pressure | 0.1549 mmHg @ 25°C📊 OPERA |
| Flash Point | 99.1 °C🔬 EPA CompTox |
| Involatility Index | 0.0126💻 Calculated |
| log Kp (skin permeability) | -1.846💻 Calculated |
| SMILES | CC(C=CC(=O)C)C1=CC=CC=C1🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 1.4 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | floralwoody• leffingwell |
| Functional Groups | ketonealkenearomatic💻 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: DTXSID3052270
Physical Properties
| Molecular Weight | 174.243 g/mol🔬 EPA CompTox |
| Density | 1.003 g/cm^3📊 OPERA |
| Boiling Point | 269.567 °C📊 OPERA |
| Melting Point | 37.626 °C📊 OPERA |
| Flash Point | 110.324 °C📊 OPERA |
| Refractive Index | 1.517 Dimensionless📊 OPERA |
| Molar Volume | 179.761 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.906 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.906 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.906 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.81 Log10 unitless📊 OPERA |
| Water Solubility | 0.004 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.055 mmHg📊 OPERA |
| Surface Tension | 34.343 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 17.07 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 3 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 54.424 cm^3/mol📊 OPERA |
| Polarizability | 21.575 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.
