Methyl phenylacetate (CAS 101-41-7) — Sweet Middle Note Fragrance Ingredient
Methyl phenylacetate
CAS 101-41-7
What Is Methyl phenylacetate?
Methyl phenylacetate is a synthetic fragrance ingredient commonly used in perfumes and flavored products. It has a sweet, honey-like aroma with floral undertones. This ester is valued for its ability to add depth and richness to fragrances, often mimicking natural floral scents in a cost-effective way.
Safety Profile
GENERALLY SAFEWhat Does Methyl phenylacetate Smell Like?
Methyl phenylacetate greets the nose with an intense, sugary sweetness reminiscent of crystallized honey dissolving on warm toast. As it evolves, the scent reveals a lush floral heart like gardenias blooming at dusk, with a subtle animalic undertow that adds sophistication. The dry-down is surprisingly clean, leaving a whisper of powdery vanilla that lingers close to the skin.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to amplify the floral bouquet, adding honeyed richness that complements ylang-ylang and damask rose.
Provides a narcotic sweetness that bridges the coffee accord and white flowers.
2D Molecular Structure
SMILES: COC(=O)CC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Methyl phenylacetate is an ester formed from phenylacetic acid and methanol. Industrially produced via Fischer esterification, it’s a key building block in fragrance chemistry. The phenyl ring provides stability while the ester group offers volatility. Chiral variants exist but commercial material is typically racemic.
Physical & Chemical Properties
| Boiling Point | 215-216 °C |
|---|---|
| Density | 1.044 g/cm³ |
| Refractive Index | 1.504-1.506 |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 2-5% | Up to 10% | Floral enhancer |
| Soaps | 0.5-2% | Up to 3% | Adds lasting sweetness |
Classic Accords
Tip: Use to round off harsh synthetic florals and add natural-seeming depth.
Alternatives & Comparisons
Slightly fruitier profile with similar tenacity, preferred for tropical floral compositions.
More balsamic character with superior fixation in base notes.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted under current IFRA standards.
EU Allergen Declaration
Not listed in EU allergen regulations.
RIFM Assessment
RIFM safety assessment confirms safe use at current industry levels.
Sustainability
Synthesized from petrochemical feedstocks but requires minimal quantities in formulations. No known ecological toxicity concerns at typical usage levels. Preferred over natural phenylacetates due to consistent quality and reduced agricultural impact.
Explore Methyl phenylacetate
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References
- Bauer et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH.
- Arctander, S. (1969). Perfume and Flavor Chemicals. Allured.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID1044352
Physical Properties
| Molecular Weight | 150.177 g/mol🔬 EPA CompTox |
| Density | 1.063 g/cm^3🔬 EPA CTX |
| Boiling Point | 216.683 °C🔬 EPA CTX |
| Melting Point | 45.6 °C🔬 EPA CTX |
| Flash Point | 92.292 °C🔬 EPA CTX |
| Refractive Index | 1.505 Dimensionless📊 OPERA |
| Molar Volume | 142.24 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.85 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 1.911 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.911 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.83 Log10 unitless📊 OPERA |
| Water Solubility | 0.007 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.309 mmHg🔬 EPA CTX |
| Viscosity | 2.447 cP📊 OPERA |
| Surface Tension | 35.603 dyn/cm📊 OPERA |
| Thermal Conductivity | 142.398 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 | 2 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 42.21 cm^3/mol📊 OPERA |
| Polarizability | 16.733 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.
