Phenethyl phenylacetate (CAS 102-20-5) — Sweet Heart to base Note Fragrance Ingredient
Phenethyl phenylacetate
CAS 102-20-5
What Is Phenethyl phenylacetate?
Phenethyl phenylacetate is a synthetic fragrance ingredient with a rich, honey-like floral aroma. You’ll encounter it in perfumes, soaps, and candles where it adds depth to floral bouquets. This versatile molecule matters because it bridges fresh top notes with warm base notes, creating perfumes that evolve beautifully on skin.
Safety Profile
GENERALLY SAFEWhat Does Phenethyl phenylacetate Smell Like?
Phenethyl phenylacetate unfolds like liquid gold – an initial burst of honey-drenched roses mellows into a narcotic floral heart with hints of cocoa powder. As it dries down, the sweetness becomes more refined, revealing a suede-like texture that lingers for hours. It behaves like a floral chameleon, amplifying gardenia’s creaminess in one context or lending plum-like richness to oriental compositions in another.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Provides the honeyed floral backbone that makes the ylang-ylang and damask rose accord smell almost edible.
Creates the addictive candy-floral effect that defines this modern gourmand, blending seamlessly with vanilla and patchouli.
2D Molecular Structure
SMILES: O=C(CC1=CC=CC=C1)OCCC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Phenethyl phenylacetate is an ester formed from phenethyl alcohol and phenylacetic acid. While phenylacetic acid occurs naturally in honey and flowers, this specific ester is predominantly synthetic. Industrial production typically involves acid-catalyzed esterification, though enzymatic routes exist. The molecule lacks chiral centers but exhibits conformational flexibility that contributes to its multifaceted odor profile.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | ~325°C (estimated) |
| Density | ~1.05 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 2-5% | Up to 10% | Floral modifier and fixative |
| Home Fragrance | 1-3% | Up to 5% | Adds warmth to floral candles |
Classic Accords
Tip: Use to ’round off’ sharp floral top notes and create seamless transitions to vanillic bases.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted under any IFRA standards (as of 51st Amendment).
RIFM Assessment
RIFM assessment confirms safe use at current industry levels.
Sustainability
As a synthetic material, phenethyl phenylacetate avoids agricultural land use but depends on petrochemical feedstocks. Green chemistry approaches using bio-derived phenethyl alcohol are being explored. The material’s potency means relatively small quantities are needed in formulations.
Explore Phenethyl phenylacetate
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781439847503
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID0044494
Physical Properties
| Molecular Weight | 240.302 g/mol🔬 EPA CompTox |
| Density | 1.072 g/cm^3🔬 EPA CTX |
| Boiling Point | 326.5 °C🔬 EPA CTX |
| Melting Point | 26.111 °C🔬 EPA CTX |
| Flash Point | 146.14 °C🔬 EPA CTX |
| Refractive Index | 1.564 Dimensionless📊 OPERA |
| Molar Volume | 219.448 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.797 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 3.842 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.842 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.18 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.068 mmHg🔬 EPA CTX |
| Viscosity | 11.548 cP📊 OPERA |
| Surface Tension | 41.12 dyn/cm📊 OPERA |
| Thermal Conductivity | 142.873 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 | 5 count💻 Computed |
| Aromatic Rings | 2 count💻 Computed |
| Molar Refractivity | 71.33 cm^3/mol📊 OPERA |
| Polarizability | 28.277 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.
