5-Methyl-5-phenyl-3-hexanone (CAS 4927-36-0) — Woody Base Note Fragrance Ingredient
5-Methyl-5-phenyl-3-hexanone
CAS 4927-36-0
What Is 5-Methyl-5-phenyl-3-hexanone?
5-Methyl-5-phenyl-3-hexanone is a synthetic fragrance ingredient used in perfumes and personal care products. It contributes to the overall scent profile with its unique characteristics. This compound is valued for its ability to enhance and modify fragrance compositions, making it a versatile tool for perfumers.
Safety Profile
GENERALLY SAFEWhat Does 5-Methyl-5-phenyl-3-hexanone Smell Like?
5-Methyl-5-phenyl-3-hexanone has a complex aroma with woody and slightly floral undertones. It evolves on the skin, starting with a fresh top note that gradually reveals a deeper, more persistent heart. The dry-down is smooth and long-lasting, making it a valuable base note in many compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to add depth and longevity to the woody base notes, enhancing the overall complexity of the fragrance.
2D Molecular Structure
SMILES: CCC(=O)CC(C)(C)C1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
5-Methyl-5-phenyl-3-hexanone is a synthetic ketone with a phenyl group. It is typically synthesized through Friedel-Crafts acylation or similar methods. The presence of the phenyl group contributes to its stability and scent profile.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Used to enhance woody notes |
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
No specific IFRA restrictions.
RIFM Assessment
No specific RIFM safety assessment found.
Sustainability
Synthetic production ensures consistent quality and reduces environmental impact compared to natural extraction methods.
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References
- PubChem Compound Summary PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 4927-36-0Physical Properties
| Molecular Weight | 190.28 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.2🔬 PubChem |
| Boiling Point | 258.9 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0149 mmHg @ 25°C📊 OPERA |
| Flash Point | 94 °C🔬 EPA CompTox |
| Involatility Index | 0.0012💻 Calculated |
| log Kp (skin permeability) | -1.589💻 Calculated |
| SMILES | CCC(=O)CC(C)(C)C1=CC=CC=C1🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 3.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | floralwoody• leffingwell |
| Functional Groups | ketonearomatic💻 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: DTXSID5052129
Physical Properties
| Molecular Weight | 190.286 g/mol🔬 EPA CompTox |
| Density | 0.963 g/cm^3🔬 EPA CTX |
| Boiling Point | 258.9 °C🔬 EPA CTX |
| Melting Point | 10.025 °C📊 OPERA |
| Flash Point | 94 °C🔬 EPA CTX |
| Refractive Index | 1.489 Dimensionless📊 OPERA |
| Molar Volume | 202.761 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.5 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 3.522 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.522 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.56 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.015 mmHg🔬 EPA CTX |
| Viscosity | 3.847 cP📊 OPERA |
| Surface Tension | 32.293 dyn/cm📊 OPERA |
| Thermal Conductivity | 126.893 mW/(m*K)📊 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 | 4 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 58.568 cm^3/mol📊 OPERA |
| Polarizability | 23.218 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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