5-Phenylhex-4-en-2-one (CAS 35151-11-2) — Floral Heart Note Fragrance Ingredient
5-Phenylhex-4-en-2-one
CAS 35151-11-2
What Is 5-Phenylhex-4-en-2-one?
5-Phenylhex-4-en-2-one is a synthetic fragrance ingredient primarily used in perfumery and flavor applications. It belongs to the family of aromatic ketones, offering a unique olfactory profile that perfumers utilize to create modern, sophisticated scents. This compound is valued for its ability to add depth and complexity to floral and woody fragrance compositions, making it a versatile tool in contemporary perfumery.
Safety Profile
USE WITH AWARENESSWhat Does 5-Phenylhex-4-en-2-one Smell Like?
5-Phenylhex-4-en-2-one presents a complex olfactory profile that evolves beautifully on the skin. Initially, it offers a slightly sweet, floral character with hints of jasmine and lilac, reminiscent of a spring garden. As it develops, a subtle woody undertone emerges, adding depth and sophistication. The dry-down reveals a soft, powdery nuance that lingers elegantly, making it suitable for both feminine and masculine fragrances. Its moderate tenacity ensures it remains noticeable without overwhelming the composition.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a floral enhancer, adding depth to the jasmine and rose heart notes, creating a modern, long-lasting floral bouquet.
Incorporated to bridge the gap between floral top notes and woody base notes, providing a seamless transition and enhanced complexity.
Adds a subtle sweet floralcy to the fresh citrus top, enhancing the natural feel of the fragrance.
Used to complement spicy and balsamic notes, adding a soft floral touch to the intense oriental composition.
Provides a modern floral-woody accord that appeals to urban, sophisticated consumers seeking unique scent profiles.
2D Molecular Structure
SMILES: CC(=O)CC=C(C)C1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
5-Phenylhex-4-en-2-one is a synthetic aromatic ketone with a molecular formula of C12H14O. It is typically synthesized through the condensation of benzaldehyde with butanone derivatives, followed by selective hydrogenation. The compound features a phenyl group attached to a hexenone backbone, which contributes to its distinctive floral-woody odor profile. Its chemical structure allows for moderate volatility, making it suitable for use in various fragrance applications. The absence of chiral centers simplifies its synthesis and ensures consistent olfactory properties across batches.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
| Flash Point | Not available |
| Vapor Pressure | Not available |
| Refractive Index | Not available |
| Solubility | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Adds floral-woody complexity |
| Personal Care | 0.5-2% | Up to 3% | Used for moderate tenacity |
| Household Products | 0.1-1% | Up to 2% | Provides subtle floralcy |
| Functional Fragrances | 0.2-1.5% | Up to 2.5% | Balances harsh notes |
Classic Accords
Tip: Use in moderation to avoid overpowering floral notes; blends well with citrus and woody materials.
Alternatives & Comparisons
Offers a similar floral character but with a sweeter, more pronounced jasmine-like aroma.
Provides a rosy floral note with less woody undertone, suitable for lighter compositions.
Delivers a more natural jasmine note with green nuances, ideal for naturalistic fragrances.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA. Use within standard industry guidelines for ketones.
EU Allergen Declaration
Not listed as an EU allergen.
GHS Classification
RIFM Assessment
Under evaluation by RIFM; preliminary data suggests moderate skin sensitization potential.
Sustainability
As a synthetic compound, 5-Phenylhex-4-en-2-one is produced in controlled laboratory settings, minimizing environmental impact compared to natural extracts. Its synthesis avoids the use of endangered plant species, contributing to sustainable fragrance development. The manufacturing process is optimized for minimal waste and energy consumption, aligning with green chemistry principles.
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References
- PubChem Compound Summary for 5-Phenylhex-4-en-2-one PubChem
- IFRA Standards Library IFRA
- RIFM Safety Assessment Program RIFM
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID7052028
Physical Properties
| Molecular Weight | 174.243 g/mol🔬 EPA CompTox |
| Density | 0.998 g/cm^3📊 OPERA |
| Boiling Point | 275.423 °C📊 OPERA |
| Melting Point | 52.982 °C📊 OPERA |
| Flash Point | 140.011 °C📊 OPERA |
| Refractive Index | 1.519 Dimensionless📊 OPERA |
| Molar Volume | 180.407 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.591 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.591 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.591 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.12 Log10 unitless📊 OPERA |
| Water Solubility | 0.005 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.048 mmHg📊 OPERA |
| Viscosity | 3.297 cP📊 OPERA |
| Surface Tension | 33.799 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 | 54.713 cm^3/mol📊 OPERA |
| Polarizability | 21.69 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.
