p-Tolyl phenylacetate (CAS 101-94-0) — Sweet Heart to base Note Fragrance Ingredient
p-Tolyl phenylacetate
CAS 101-94-0
What Is p-Tolyl phenylacetate?
p-Tolyl phenylacetate is a synthetic aroma chemical used in perfumery to add sweet, floral, and slightly honey-like nuances. You’ll encounter it in fine fragrances, especially those aiming for vintage floral character or powdery accents. This versatile ingredient bridges floral and oriental compositions, valued for its ability to enhance rose and jasmine accords while adding subtle warmth and persistence to the fragrance dry-down.
Safety Profile
USE WITH AWARENESSWhat Does p-Tolyl phenylacetate Smell Like?
p-Tolyl phenylacetate unfolds with an initial burst of sweet honeyed florals, reminiscent of rose petals dipped in warm beeswax. The heart reveals a sophisticated powdery character like vintage face powder, with nuances of dried apricot skin and a whisper of tolu balsam. As it dries down, it leaves a delicate trail of vanilla-kissed musk and a faint phenolic edge that adds intriguing complexity. The overall impression is like a sun-warmed antique rosewood box containing dried flowers and amber resins.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a rose enhancer and fixative, contributing to the legendary ‘costliest perfume’ effect by amplifying the natural richness of the jasmine-rose heart.
Provides the powdery-oriental bridge between the anisic top notes and vanillic base, creating the fragrance’s signature twilight melancholy.
2D Molecular Structure
SMILES: CC1=CC=C(OC(=O)CC2=CC=CC=C2)C=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
p-Tolyl phenylacetate is an ester formed by the condensation of p-cresol with phenylacetic acid. As a synthetic aromatic ester, it exhibits excellent stability and moderate volatility. Industrial synthesis typically employs acid-catalyzed esterification under controlled conditions. The para-methyl group on the phenolic ring enhances the molecule’s lipophilicity (XLogP ~3.2), contributing to its substantivity in fragrance applications. While not found in nature, its structural relatives occur in honey and some balsamic resins.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | ~300 °C (estimated) |
| Density | ~1.05 g/cm³ |
| Refractive Index | ~1.55 |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Floral enhancer and fixative |
| Soap | 0.1-0.5% | Up to 1% | Stable in alkaline media |
Classic Accords
Tip: Use with ionones to create sophisticated powder effects without excessive sweetness.
Alternatives & Comparisons
Brighter floral character with less powder, useful when more diffusion is desired in top-to-heart transitions.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under IFRA 51st Amendment. RIFM safety assessment confirms safe use at current industry levels.
GHS Classification
RIFM Assessment
RIFM evaluation confirms safe use up to 3.9% in fine fragrance based on dermal sensitization data.
Sustainability
As a fully synthetic material, p-Tolyl phenylacetate has minimal environmental impact from sourcing. Production typically uses green chemistry principles with high atom economy. Being petroleum-derived, its carbon footprint is offset by requiring only small quantities in formulations.
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References
- Arctander S. (1969). Perfume and Flavor Chemicals. Allured Publishing.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 101-94-0Physical Properties
| Molecular Weight | 226.27 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.6🔬 PubChem |
| Boiling Point | 310 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -1.524💻 Calculated |
| SMILES | CC1=CC=C(C=C1)OC(=O)CC2=CC=CC=C2🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
Odor & Flavor
| Primary Descriptors | animalic• leffingwell |
| Functional Groups | esteretheraromatic💻 RDKit |
| p-Tolyl phenylacetate has a faint but tenacious lily, hyacinth, narcissus odor with a sweet, honey-like flavor.📖 Fenaroli | |
Regulatory Status
| IOFI Classification | Artificial📖 Fenaroli |
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: DTXSID7051509
Physical Properties
| Molecular Weight | 226.275 g/mol🔬 EPA CompTox |
| Density | 1.108 g/cm^3📊 OPERA |
| Boiling Point | 310 °C🔬 EPA CTX |
| Melting Point | 76 °C🔬 EPA CTX |
| Flash Point | 139.561 °C📊 OPERA |
| Refractive Index | 1.57 Dimensionless📊 OPERA |
| Molar Volume | 204.039 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.79 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 3.504 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.504 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.56 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg📊 OPERA |
| Viscosity | 13.981 cP📊 OPERA |
| Surface Tension | 40.484 dyn/cm📊 OPERA |
| Thermal Conductivity | 136.993 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 | 3 count💻 Computed |
| Aromatic Rings | 2 count💻 Computed |
| Molar Refractivity | 66.906 cm^3/mol📊 OPERA |
| Polarizability | 26.524 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.
