alpha,alpha-Dimethylphenylethyl propionate (CAS 67785-77-7) — Sweet Top to Middle Note Fragrance Ingredient
alpha,alpha-Dimethylphenylethyl propionate
CAS 67785-77-7
What Is alpha,alpha-Dimethylphenylethyl propionate?
Alpha,alpha-Dimethylphenylethyl propionate is a synthetic fragrance ingredient often used in perfumes and body care products. It contributes to fruity, floral, and slightly woody scent profiles. This molecule is valued for its ability to add volume and diffusion to fragrance compositions, making it a versatile tool for perfumers.
Safety Profile
GENERALLY SAFEWhat Does alpha,alpha-Dimethylphenylethyl propionate Smell Like?
This synthetic material opens with a bright, fruity-floral burst reminiscent of ripe pears and apple blossoms. The heart develops into a plush, rosy character with subtle hints of clean musk. As it dries down, a whisper of woody amber emerges, providing excellent tenacity without overwhelming the composition. The overall effect is radiant and expansive – like sunlight filtering through a fruit orchard in early summer.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the fruity top notes while providing a smooth transition to the floral heart. Its diffusive quality helps create the fragrance’s signature ‘halo’ effect.
Contributes to the sparkling, youthful fruity-floral character that defines this modern classic. Works in harmony with violet leaf and strawberry notes.
2D Molecular Structure
SMILES: CCC(=O)OC(C)(C)CC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Alpha,alpha-Dimethylphenylethyl propionate is a synthetic ester derived from phenylpropanoid chemistry. While not found in nature, it shares structural similarities with naturally occurring fruit esters. The dimethyl substitution on the alpha carbon increases stability and modifies the odor profile compared to simpler phenylpropanoids. Industrial synthesis typically involves acid-catalyzed esterification of the corresponding alcohol with propionic acid.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Odor | Fruity, floral, slightly woody |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds diffusion and fruity-floral character |
| Body Care | 0.5-2% | Up to 3% | Provides lasting freshness |
Classic Accords
Tip: Use in citrus compositions to add body and extend the fruity top notes.
Alternatives & Comparisons
More straightforward rosy-fruity character without the woody drydown. Better for simpler floral compositions.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply to this material.
RIFM Assessment
Not currently evaluated by RIFM. Considered safe at reported usage levels based on structural analogs.
Sustainability
As a synthetic material, production is not dependent on agricultural resources. The manufacturing process follows standard petrochemical protocols with opportunities for green chemistry optimization. Lifecycle analysis shows lower environmental impact than some natural alternatives due to concentrated odor power and efficient synthesis.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781420090869
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 67785-77-7Physical Properties
| Molecular Weight | 206.28 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.2🔬 PubChem |
| Boiling Point | 255 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0195 mmHg @ 25°C📊 OPERA |
| Flash Point | 104.2 °C🔬 EPA CompTox |
| Involatility Index | 0.0015💻 Calculated |
| log Kp (skin permeability) | -1.686💻 Calculated |
| SMILES | CCC(=O)OC(C)(C)CC1=CC=CC=C1🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 3.3 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | floralfruitysweet• leffingwell |
| Functional Groups | esteretheraromatic💻 RDKit |
| “The fact that the odor of this ester is rather nondescript, not typically fruity, not clearly floral, and not reminiscent of one distinct natural product, has probably produced some difficulty in the extended use of D.M.B.C. propionate.”📖 Arctander | |
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: DTXSID90867326
Physical Properties
| Molecular Weight | 206.285 g/mol🔬 EPA CompTox |
| Density | 0.98 g/cm^3📊 OPERA |
| Boiling Point | 261.697 °C📊 OPERA |
| Melting Point | 26.292 °C📊 OPERA |
| Flash Point | 105.497 °C📊 OPERA |
| Refractive Index | 1.495 Dimensionless📊 OPERA |
| Molar Volume | 208.315 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.742 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.742 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.742 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.36 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.009 mmHg📊 OPERA |
| Viscosity | 4.772 cP📊 OPERA |
| Surface Tension | 33.231 dyn/cm📊 OPERA |
| Thermal Conductivity | 132.721 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 | 4 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 60.707 cm^3/mol📊 OPERA |
| Polarizability | 24.066 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.
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