3-Phenylpropionaldehyde (CAS 104-53-0) — Sweet Heart Note Fragrance Ingredient
3-Phenylpropionaldehyde
CAS 104-53-0
What Is 3-Phenylpropionaldehyde?
3-Phenylpropionaldehyde is a synthetic fragrance ingredient with a sweet, floral-honey scent. You’ll encounter it in perfumes, soaps, and candles where it adds depth to floral compositions. This molecule matters because it mimics natural floral aromas at a fraction of the cost, allowing affordable luxury in everyday products while maintaining consistent quality.
Safety Profile
USE WITH AWARENESSWhat Does 3-Phenylpropionaldehyde Smell Like?
3-Phenylpropionaldehyde opens with an intense honeyed sweetness, like crystallized nectar dripping from a comb, quickly unfolding into a floral heart reminiscent of lilac and hyacinth drenched in golden sunlight. As it dries, the aroma develops a subtle cinnamon-spiced warmth, leaving a lingering impression of crushed flower stems and vanilla-infused tobacco. The transition from syrupy top notes to powdery-woody base creates remarkable diffusion that fills space without overwhelming.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a honeyed floral bridge between the bright bergamot top and ylang-ylang heart, amplifying the solar floral effect while adding diffusion-enhancing sweetness.
Provides a candied floralcy that softens the citrus-quince opening and blends seamlessly into the white musk drydown, creating the ‘tender’ effect.
2D Molecular Structure
SMILES: O=CCCC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
3-Phenylpropionaldehyde belongs to the phenylpropanoid class, featuring a benzene ring connected to an aldehyde group via a three-carbon chain. While found in trace amounts in some flowers, commercial production typically involves the oxidation of cinnamyl alcohol or hydroformylation of styrene. The molecule lacks chirality centers, ensuring consistent olfactory properties across synthetic batches. Its conjugated π-electron system contributes to both chemical stability and intense odor characteristics.
Physical & Chemical Properties
| Boiling Point | 222 °C |
|---|---|
| Density | 1.010 g/cm³ |
| Refractive Index | 1.520-1.525 |
| Flash Point | 101 °C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Floral modifier |
| Soap | 0.1-0.5% | Up to 1% | Sweetness booster |
Classic Accords
Tip: Stabilize in ethanol before adding to aqueous systems to prevent Schiff base formation.
Alternatives & Comparisons
More green-floral with less honeyed sweetness, useful when requiring sharper floral definition without gourmand effects.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific restrictions under IFRA 51st Amendment. General usage guidelines apply.
EU Allergen Declaration
Not listed in EU allergen regulation (EC) No 1223/2009 Annex III.
GHS Classification
RIFM Assessment
RIFM evaluation complete – safe at current use levels with proper handling precautions.
Sustainability
Synthetic production from petrochemical feedstocks raises carbon footprint concerns, but high potency reduces per-wear environmental impact compared to natural extracts. No animal derivatives or endangered plant materials involved.
Explore 3-Phenylpropionaldehyde
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References
- Bauer et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID0047610
Physical Properties
| Molecular Weight | 134.178 g/mol🔬 EPA CompTox |
| Density | 1.012 g/cm^3🔬 EPA CTX |
| Boiling Point | 224.5 °C🔬 EPA CTX |
| Melting Point | -14.5 °C🔬 EPA CTX |
| Flash Point | 95.075 °C🔬 EPA CTX |
| Refractive Index | 1.509 Dimensionless📊 OPERA |
| Molar Volume | 136.076 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.929 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 1.929 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.929 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.85 Log10 unitless📊 OPERA |
| Water Solubility | 0.016 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.181 mmHg📊 OPERA |
| Viscosity | 1.837 cP📊 OPERA |
| Surface Tension | 35.479 dyn/cm📊 OPERA |
| Thermal Conductivity | 145.592 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 | 40.622 cm^3/mol📊 OPERA |
| Polarizability | 16.104 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.
