2-Methyl-3-tolylpropionaldehyde (CAS 41496-43-9) — Floral Middle Note Fragrance Ingredient
2-Methyl-3-tolylpropionaldehyde
CAS 41496-43-9
What Is 2-Methyl-3-tolylpropionaldehyde?
2-Methyl-3-tolylpropionaldehyde is a synthetic fragrance ingredient used in perfumes and scented products. It contributes to floral and powdery accords, often found in soaps, detergents, and fine fragrances. This ingredient matters because it adds a unique, long-lasting character to scent compositions, enhancing both the complexity and longevity of the fragrance.
Safety Profile
GENERALLY SAFEWhat Does 2-Methyl-3-tolylpropionaldehyde Smell Like?
2-Methyl-3-tolylpropionaldehyde offers a delicate floral-powdery scent with a hint of almond-like sweetness. The top note is fresh and slightly green, evolving into a heart of soft floral tones reminiscent of lilac and heliotrope. The dry-down reveals a warm, slightly musky base that lingers subtly on the skin.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance the floral bouquet, adding a powdery nuance that balances the aldehydic sparkle and floral richness.
Adds a soft, powdery dimension to the vanilla and amber base, creating a more rounded and luxurious dry-down.
2D Molecular Structure
SMILES: CC(CC1=CC=C(C)C=C1)C=O
Chemistry, Properties & Perfumer Guide
The Chemistry
2-Methyl-3-tolylpropionaldehyde is a synthetic aldehyde with a molecular formula C11H14O. It is typically synthesized via the condensation of toluene derivatives with propionaldehyde. The compound exhibits chirality, with the (R)-enantiomer being more potent in fragrance applications. Its stability under various pH conditions makes it versatile in formulations.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Adds powdery floral nuance |
| Soap | 0.5-1% | Up to 2% | Enhances floral character |
Classic Accords
Tip: Use in moderation to avoid overpowering the composition.
Alternatives & Comparisons
Offers a similar powdery floral note but with a more pronounced vanilla-like sweetness.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under current IFRA standards.
RIFM Assessment
RIFM assessment confirms safety at current usage levels.
Sustainability
As a synthetic ingredient, 2-Methyl-3-tolylpropionaldehyde is produced with minimal environmental impact compared to natural alternatives. Its synthesis avoids the need for agricultural resources, making it a sustainable choice for modern perfumery.
Explore 2-Methyl-3-tolylpropionaldehyde
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References
- PubChem Compound Summary for 2-Methyl-3-tolylpropionaldehyde PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID00866047
Physical Properties
| Molecular Weight | 162.232 g/mol🔬 EPA CompTox |
| Density | 0.945 g/cm^3📊 OPERA |
| Boiling Point | 241.484 °C📊 OPERA |
| Melting Point | 8.943 °C📊 OPERA |
| Flash Point | 104.036 °C📊 OPERA |
| Refractive Index | 1.503 Dimensionless📊 OPERA |
| Molar Volume | 169.235 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.695 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.695 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.695 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.87 Log10 unitless📊 OPERA |
| Water Solubility | 0.005 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.115 mmHg📊 OPERA |
| Viscosity | 2.283 cP📊 OPERA |
| Surface Tension | 33.174 dyn/cm📊 OPERA |
| Thermal Conductivity | 135.491 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 | 50.038 cm^3/mol📊 OPERA |
| Polarizability | 19.837 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.
