Pentyl phenylacetate (CAS 5137-52-0) — Sweet Heart to base Note Fragrance Ingredient
Pentyl phenylacetate
CAS 5137-52-0
What Is Pentyl phenylacetate?
Pentyl phenylacetate is a synthetic fragrance ingredient commonly used in perfumes and flavored products. It contributes a sweet, honey-like aroma with floral undertones. This ester is valued for its ability to add depth and warmth to fragrance compositions, often serving as a modifier for floral and fruity notes in consumer products.
Safety Profile
GENERALLY SAFEWhat Does Pentyl phenylacetate Smell Like?
Pentyl phenylacetate unfolds with an initial burst of sweet, honeyed richness that quickly settles into a floral heart reminiscent of jasmine and orange blossom. The dry-down reveals a subtle powdery nuance with a lingering warmth. Its character evolves like golden syrup drizzled over fresh petals, maintaining a balanced sweetness without becoming cloying.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a honeyed floral bridge between the top notes and heart, enhancing the jasmine absolute with its warm sweetness.
Provides a candied floral effect that supports the explosive bouquet, adding depth to the vanilla base.
2D Molecular Structure
SMILES: CCCCCOC(=O)CC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Pentyl phenylacetate is an ester formed from phenylacetic acid and pentanol. As a synthetic molecule, it’s typically produced through acid-catalyzed esterification. The compound belongs to the phenylacetate ester family, known for their sweet, floral characteristics. Its molecular structure features a phenyl ring connected to an acetate group with a pentyl chain, creating balanced hydrophobicity ideal for fragrance applications.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | Approx. 250-260°C (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Floral modifier |
| Soap | 0.5-1% | Up to 2% | Stable in alkaline conditions |
Classic Accords
Tip: Use with citrus top notes to prevent excessive sweetness in floral compositions.
Alternatives & Comparisons
Offers similar honeyed floral character with better fixation, suitable for longer-lasting formulations.
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
Recognized as safe for use in current applications by RIFM.
Sustainability
As a synthetic material, pentyl phenylacetate has consistent quality without natural sourcing constraints. Production can utilize green chemistry principles to minimize environmental impact. The compound’s stability reduces waste in formulation processes.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID7063714
Physical Properties
| Molecular Weight | 206.285 g/mol🔬 EPA CompTox |
| Density | 1.03 g/cm^3🔬 EPA CTX |
| Boiling Point | 267.5 °C🔬 EPA CTX |
| Melting Point | 2.487 °C📊 OPERA |
| Flash Point | 159.6 °C🔬 EPA CTX |
| Refractive Index | 1.495 Dimensionless📊 OPERA |
| Molar Volume | 208.267 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.9 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.9 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.9 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.91 Log10 unitless📊 OPERA |
| Water Solubility | 0.003 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.013 mmHg📊 OPERA |
| Viscosity | 4.81 cP📊 OPERA |
| Surface Tension | 35.091 dyn/cm📊 OPERA |
| Thermal Conductivity | 140.975 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 | 6 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 60.741 cm^3/mol📊 OPERA |
| Polarizability | 24.08 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.
