4-(4-Methoxyphenyl)-3-methylbutan-2-one (CAS 67828-19-7) — Woody Middle to Base Note Fragrance Ingredient
4-(4-Methoxyphenyl)-3-methylbutan-2-one
CAS 67828-19-7
What Is 4-(4-Methoxyphenyl)-3-methylbutan-2-one?
4-(4-Methoxyphenyl)-3-methylbutan-2-one is a synthetic fragrance ingredient used in perfumes and personal care products. It adds a warm, slightly sweet, and woody character to fragrances. This ingredient is valued for its ability to enhance and round out floral and oriental compositions, providing depth and longevity.
Safety Profile
GENERALLY SAFEWhat Does 4-(4-Methoxyphenyl)-3-methylbutan-2-one Smell Like?
This molecule offers a warm, slightly sweet, and woody aroma with a subtle floral undertone. It evolves from a fresh, slightly spicy top note to a heart of warm, woody sweetness, settling into a soft, lingering base. The dry-down is smooth and slightly powdery, making it versatile in various fragrance types.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
This ingredient is used to add warmth and depth to floral and oriental fragrances, enhancing their longevity and complexity.
2D Molecular Structure
SMILES: COC1=CC=C(CC(C)C(C)=O)C=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
4-(4-Methoxyphenyl)-3-methylbutan-2-one is a synthetic aromatic ketone. It is synthesized through Friedel-Crafts acylation or other related organic reactions. The presence of the methoxy group contributes to its sweet, woody character, while the ketone group adds depth and warmth.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds warmth and depth |
Classic Accords
Tip: Use in small amounts to enhance warmth and longevity in floral and oriental compositions.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions.
RIFM Assessment
No specific RIFM assessment found.
Sustainability
As a synthetic ingredient, it is produced in controlled environments with minimal environmental impact. Sourcing is consistent and does not rely on natural resources.
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References
- PubChem. 4-(4-Methoxyphenyl)-3-methylbutan-2-one. PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID80867355
Physical Properties
| Molecular Weight | 192.258 g/mol🔬 EPA CompTox |
| Density | 1.006 g/cm^3📊 OPERA |
| Boiling Point | 279.116 °C📊 OPERA |
| Melting Point | 10.024 °C📊 OPERA |
| Flash Point | 114.036 °C📊 OPERA |
| Refractive Index | 1.495 Dimensionless📊 OPERA |
| Molar Volume | 193.27 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.622 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.622 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.622 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.56 Log10 unitless📊 OPERA |
| Water Solubility | 0.004 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.008 mmHg📊 OPERA |
| Viscosity | 4.207 cP📊 OPERA |
| Surface Tension | 33.769 dyn/cm📊 OPERA |
| Thermal Conductivity | 140.46 mW/(m*K)📊 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 | 4 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 56.367 cm^3/mol📊 OPERA |
| Polarizability | 22.346 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.
