beta-Methyl-benzenepentanal (CAS 55066-49-4) — Woody Top to Heart Note Fragrance Ingredient
beta-Methyl-benzenepentanal
CAS 55066-49-4
What Is beta-Methyl-benzenepentanal?
beta-Methyl-benzenepentanal 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 helps perfumers create distinctive scent profiles that stand out in competitive markets, offering a balance between freshness and depth.
Safety Profile
GENERALLY SAFEWhat Does beta-Methyl-benzenepentanal Smell Like?
beta-Methyl-benzenepentanal offers a complex aromatic profile with a fresh, slightly green opening that evolves into a warm, woody heart. The dry-down reveals a subtle sweetness reminiscent of dried fruits, balanced by a clean, almost soapy undertone. Its character is versatile, blending well with both floral and woody accords.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a woody-aromatic modifier, adding depth and freshness to the top notes while ensuring longevity in the heart.
Provides a clean, slightly green accent that contrasts with the fragrance’s darker base notes.
Enhances the citrus top notes with a subtle woody undertone, creating a balanced opening.
Adds a modern twist to the traditional woody accord, making it more contemporary.
Used sparingly to introduce a fresh, aromatic quality that complements the floral heart.
2D Molecular Structure
SMILES: CC(CCC1=CC=CC=C1)CC=O
Chemistry, Properties & Perfumer Guide
The Chemistry
beta-Methyl-benzenepentanal is a synthetic aromatic aldehyde. It belongs to the class of benzenepentanals, characterized by a benzene ring attached to a pentanal chain with a methyl substitution. The molecule is typically synthesized through Friedel-Crafts acylation or other aromatic substitution reactions. Its structure allows for moderate volatility and good blending properties in fragrance formulations.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds aromatic freshness |
| Personal Care | 0.5-2% | Up to 5% | Provides clean, woody notes |
| Home Fragrance | 0.1-1% | Up to 3% | Enhances aromatic profiles |
Classic Accords
Tip: Use in small amounts to avoid overpowering other notes.
Alternatives & Comparisons
Provides a softer, more powdery alternative with good blending properties.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply.
RIFM Assessment
No specific RIFM assessment found.
Sustainability
As a synthetic ingredient, beta-Methyl-benzenepentanal is produced in controlled environments, minimizing environmental impact. Its synthesis can be optimized for reduced waste and energy consumption.
Explore beta-Methyl-benzenepentanal
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References
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID9052212
Physical Properties
| Molecular Weight | 176.259 g/mol🔬 EPA CompTox |
| Density | 0.937 g/cm^3📊 OPERA |
| Boiling Point | 264.541 °C📊 OPERA |
| Melting Point | 13.328 °C📊 OPERA |
| Flash Point | 117.163 °C📊 OPERA |
| Refractive Index | 1.498 Dimensionless📊 OPERA |
| Molar Volume | 185.973 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) | 5.96 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.07 mmHg📊 OPERA |
| Viscosity | 3.09 cP📊 OPERA |
| Surface Tension | 32.925 dyn/cm📊 OPERA |
| Thermal Conductivity | 138.078 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 | 5 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 54.479 cm^3/mol📊 OPERA |
| Polarizability | 21.597 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.
