3-(4-isobutyl-2-methylphenyl)propanal (CAS 1637294-12-2) — Woody Middle to Base Note Fragrance Ingredient
3-(4-isobutyl-2-methylphenyl)propanal
CAS 1637294-12-2
What Is 3-(4-isobutyl-2-methylphenyl)propanal?
3-(4-isobutyl-2-methylphenyl)propanal is a synthetic fragrance ingredient used to enhance floral and woody notes in perfumes. It’s found in personal care products and fine fragrances. This aldehyde derivative provides long-lasting scent profiles that evolve beautifully on skin. Its controlled release makes it valuable for modern perfumery where precise scent layering is required.
Safety Profile
GENERALLY SAFEWhat Does 3-(4-isobutyl-2-methylphenyl)propanal Smell Like?
This synthetic aldehyde opens with a crisp, slightly metallic freshness reminiscent of crushed green stems, which quickly gives way to a rounded floral heart with hints of magnolia petals and wet concrete. The dry-down reveals a persistent woody-musky character that clings to fabrics like the memory of a forest after rain.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a woody-floral bridge between the fresh top notes and sensual base. Provides diffusion and tenacity to the floral bouquet.
Employed to amplify the fruity-floral character while adding subtle woody depth that prevents the composition from becoming too sweet.
2D Molecular Structure
SMILES: CC(C)CC1=CC(C)=C(CCC=O)C=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
3-(4-isobutyl-2-methylphenyl)propanal belongs to the phenylpropanoid class of fragrance compounds. While not found in nature, its structure mimics certain floral scent molecules. Synthesis typically involves Grignard reactions or hydroformylation of appropriate precursors. The isobutyl group enhances volatility while the aldehyde functionality provides reactivity for scent development.
Physical & Chemical Properties
| Molecular Weight | 204.31 g/mol |
|---|---|
| Boiling Point | ~300 °C (estimated) |
| LogP | ~3.5 (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | 0.5-5% | Provides floral-woody depth |
| Personal Care | 0.2-1% | 0.1-2% | Used for scent retention |
Classic Accords
Tip: Use with citrus notes to prevent excessive sweetness in floral compositions.
Alternatives & Comparisons
When a more pronounced floral character is desired, though restricted in some markets.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA. Monitoring status under Amendment 51.
EU Allergen Declaration
Not listed as an EU allergen.
RIFM Assessment
Under review by RIFM for comprehensive safety assessment.
Sustainability
Synthetic production allows consistent quality without natural resource depletion. Manufacturing process optimized to reduce solvent waste and energy consumption compared to earlier generation fragrance aldehydes.
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References
- IFRA Standards Library Amendment 51 IFRA 51
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 1637294-12-2Physical Properties
| Molecular Weight | 204.31 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.6🔬 PubChem |
| Boiling Point | 284 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0008 mmHg @ 25°C📊 OPERA |
| Flash Point | 144.5 °C🔬 EPA CompTox |
| Involatility Index | 0.0001💻 Calculated |
| log Kp (skin permeability) | -1.39💻 Calculated |
| SMILES | CC1=C(C=CC(=C1)CC(C)C)CCC=O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 6.4 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | floralwoody• leffingwell |
| Functional Groups | aldehydearomatic💻 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: DTXSID401019614
Physical Properties
| Molecular Weight | 204.313 g/mol🔬 EPA CompTox |
| Density | 0.948 g/cm^3🔬 EPA CTX |
| Boiling Point | 284 °C🔬 EPA CTX |
| Melting Point | 13.759 °C📊 OPERA |
| Flash Point | 144.5 °C🔬 EPA CTX |
| Refractive Index | 1.499 Dimensionless📊 OPERA |
| Molar Volume | 218.559 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.008 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.008 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.008 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.26 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.001 mmHg🔬 EPA CTX |
| Viscosity | 6.64 cP📊 OPERA |
| Surface Tension | 33.552 dyn/cm📊 OPERA |
| Thermal Conductivity | 132.742 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 | 64.22 cm^3/mol📊 OPERA |
| Polarizability | 25.459 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.
