4-Methyl-4-phenyl-2-pentanone (CAS 7403-42-1) — Woody Base Note Fragrance Ingredient
4-Methyl-4-phenyl-2-pentanone
CAS 7403-42-1
What Is 4-Methyl-4-phenyl-2-pentanone?
4-Methyl-4-phenyl-2-pentanone is a synthetic fragrance ingredient used to add woody, musky notes to perfumes. It is commonly found in modern fragrances aiming for a clean yet complex profile. This molecule matters because it bridges natural woody scents with synthetic precision, offering perfumers a consistent and versatile building block for contemporary accords.
Safety Profile
GENERALLY SAFEWhat Does 4-Methyl-4-phenyl-2-pentanone Smell Like?
4-Methyl-4-phenyl-2-pentanone opens with a crisp, woody character reminiscent of freshly sanded cedar, evolving into a subtle musky heart with hints of clean linen. The dry-down reveals a faintly sweet, almost powdery nuance, making it ideal for modern fragrances seeking a balance between natural warmth and synthetic clarity.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to create a clean, woody backbone that blends seamlessly with musky and floral notes, providing longevity and depth.
2D Molecular Structure
SMILES: CC(=O)CC(C)(C)C1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
4-Methyl-4-phenyl-2-pentanone is a synthetic ketone with a woody-musky odor profile. It is typically synthesized through Friedel-Crafts acylation or related methods. The molecule’s structure allows for consistent performance in fragrances, making it a reliable choice for perfumers.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds woody depth |
| Functional Fragrance | 0.5-2% | Up to 5% | Clean musky note |
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 restrictions under IFRA standards.
RIFM Assessment
No significant safety concerns identified by RIFM.
Sustainability
Synthetic production ensures consistent quality and reduces reliance on natural resources. Environmental impact is minimal due to controlled manufacturing processes.
Explore 4-Methyl-4-phenyl-2-pentanone
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References
- PubChem: 4-Methyl-4-phenyl-2-pentanone PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 7403-42-1Physical Properties
| Molecular Weight | 176.25 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.7🔬 PubChem |
| Boiling Point | 247 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0225 mmHg @ 25°C📊 OPERA |
| Flash Point | 116 °C🔬 EPA CompTox |
| Involatility Index | 0.0018💻 Calculated |
| log Kp (skin permeability) | -1.858💻 Calculated |
| SMILES | CC(=O)CC(C)(C)C1=CC=CC=C1🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 2.9 / 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: DTXSID6064664
Physical Properties
| Molecular Weight | 176.259 g/mol🔬 EPA CompTox |
| Density | 0.973 g/cm^3🔬 EPA CTX |
| Boiling Point | 247 °C🔬 EPA CTX |
| Melting Point | -23.5 °C🔬 EPA CTX |
| Flash Point | 116 °C🔬 EPA CTX |
| Refractive Index | 1.491 Dimensionless📊 OPERA |
| Molar Volume | 186.254 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.77 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 3.241 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.241 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.74 Log10 unitless📊 OPERA |
| Water Solubility | 0.005 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.019 mmHg🔬 EPA CTX |
| Viscosity | 2.374 cP📊 OPERA |
| Surface Tension | 32.137 dyn/cm📊 OPERA |
| Thermal Conductivity | 126.826 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 | 3 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 53.935 cm^3/mol📊 OPERA |
| Polarizability | 21.382 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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