Anisyl phenylacetate (CAS 102-17-0) — Sweet Middle to base Note Fragrance Ingredient
Anisyl phenylacetate
CAS 102-17-0
What Is Anisyl phenylacetate?
Anisyl phenylacetate is a synthetic fragrance ingredient with a sweet, floral, and slightly powdery aroma. It’s commonly found in perfumes, soaps, and cosmetic products, adding a soft, velvety character. This molecule matters because it mimics natural floral notes while providing superior stability in formulations, making it a workhorse in modern perfumery.
Safety Profile
GENERALLY SAFEWhat Does Anisyl phenylacetate Smell Like?
Anisyl phenylacetate unfolds like a silk handkerchief dipped in honey. The top note is an immediate burst of candied violets and vanilla pods, softening into a heart of heliotrope petals dusted with powdered sugar. As it dries, the base reveals a sophisticated interplay between creamy benzoin and the faintest whisper of almond, creating a lingering impression of antique perfumed powder. Its tenacity is remarkable for a floral material, persisting on skin for hours while maintaining a delicate, non-cloying sweetness.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to bridge the vanilla and bergamot, adding a powdery floral nuance that softens Shalimar’s bold oriental structure.
Provides the twilight glow in this classic, enhancing the heliotrope-anise accord with its velvety texture.
Modern formulations use it to round out the lavender-citrus opening with a subtle floral sweetness.
Contributes to the rain-drenched violet effect, pairing with ionones for a melancholic floralcy.
Works in the chypre base to smooth the transition between peach and oakmoss.
2D Molecular Structure
SMILES: COC1=CC=C(COC(=O)CC2=CC=CC=C2)C=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Anisyl phenylacetate is an ester formed from anisyl alcohol and phenylacetic acid. While phenylacetic acid occurs naturally (notably in honey and roses), the ester is almost exclusively synthetic in perfumery. Industrial synthesis typically involves Fischer esterification under acidic conditions. The molecule’s planar structure and conjugated system contribute to its exceptional stability and resistance to oxidation compared to natural floral absolutes. Its relatively high molecular weight (240.3 g/mol) explains its tenacity on skin, while the methoxy group enhances solubility in both polar and non-polar fragrance bases.
Physical & Chemical Properties
| Boiling Point | ~300 °C (est.) |
|---|---|
| Flash Point | >100 °C |
| Density | ~1.1 g/cm³ (est.) |
| Refractive Index | ~1.55 (est.) |
| Solubility | Sparingly soluble in water, miscible in alcohol |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Powdery floral modifier |
| Soap | 0.5-1.5% | Up to 2% | Stable floral note |
| Detergent | 0.1-0.5% | Up to 1% | Background floralcy |
| Creams/Lotions | 0.2-1% | Up to 1.5% | Soft skin scent |
Classic Accords
Tip: Use with ionones to create sophisticated violet reconstructions without the instability of natural absolutes.
Alternatives & Comparisons
Lighter and more volatile, better for top notes where a fresher anisic effect is desired.
Rosier and less powdery, useful when more honeyed floral character is needed.
For sharper, more candied floral-powdery effects in smaller quantities.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions (as of Amendment 51).
RIFM Assessment
RIFM assessment confirms safe use at current industry levels (2019 review).
Sustainability
As a synthetic material, anisyl phenylacetate avoids the agricultural impacts of natural floral materials. Its efficient synthesis from petrochemical precursors results in consistent quality and availability. The molecule’s stability reduces waste from oxidation compared to natural alternatives. However, like all synthetic aromatics, its production depends on fossil fuel feedstocks – a consideration for sustainability-focused formulators.
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References
- Arctander S. (1969). Perfume and Flavor Chemicals. Montclair: Steffen Arctander.
- Bauer K. et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH.
- RIFM (2019). Safety Assessment of Anisyl Phenylacetate.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID5059246
Physical Properties
| Molecular Weight | 256.301 g/mol🔬 EPA CompTox |
| Density | 1.126 g/cm^3📊 OPERA |
| Boiling Point | 370 °C🔬 EPA CTX |
| Melting Point | 53.307 °C📊 OPERA |
| Flash Point | 157.3 °C🔬 EPA CTX |
| Refractive Index | 1.56 Dimensionless📊 OPERA |
| Molar Volume | 226.944 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.227 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.227 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.227 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.63 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 | 14.133 cP📊 OPERA |
| Surface Tension | 41.672 dyn/cm📊 OPERA |
| Thermal Conductivity | 145.093 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 35.53 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 3 count💻 Computed |
| Rotatable Bonds | 5 count💻 Computed |
| Aromatic Rings | 2 count💻 Computed |
| Molar Refractivity | 73.376 cm^3/mol📊 OPERA |
| Polarizability | 29.088 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.
