1-(p-Methoxyphenyl)-2-propanone (CAS 122-84-9) — Sweet Heart to base Note Fragrance Ingredient
1-(p-Methoxyphenyl)-2-propanone
CAS 122-84-9
What Is 1-(p-Methoxyphenyl)-2-propanone?
1-(p-Methoxyphenyl)-2-propanone is a synthetic fragrance ingredient used in perfumes and flavored products. It contributes a sweet, floral-anisic character reminiscent of heliotrope and vanilla. You’ll encounter it in fine fragrances, especially oriental and floral compositions. This molecule matters because it provides long-lasting sweetness without being cloying, acting as a bridge between floral top notes and warm base accords. Its stability makes it valuable for functional fragrances like soaps and detergents.
Safety Profile
USE WITH AWARENESSWhat Does 1-(p-Methoxyphenyl)-2-propanone Smell Like?
Opens with a radiant anisic-floral burst reminiscent of crushed fennel seeds dipped in honey. The heart reveals a powdery heliotrope character with nuances of almond paste and cherry pits. As it dries down, the sweetness becomes more vanillic and resinous, with a faint woody-musky undertone that prevents it from becoming overly gourmand. The overall effect is like a sun-warmed meadow of flowering sweet clover with a subtle phenolic edge that adds sophistication.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to enhance the vanilla-oriental base with its heliotropin-like character, adding powdery depth to the famous Guerlinade accord.
Provides the anisic-floral bridge between the bergamot top and orris-vanilla base, creating the twilight melancholy effect.
2D Molecular Structure
SMILES: COC1=CC=C(CC(C)=O)C=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
1-(p-Methoxyphenyl)-2-propanone belongs to the aryl alkyl ketone class. It’s synthesized through Friedel-Crafts acylation of anisole with propionic acid derivatives. The para-methoxy group enhances electron density on the aromatic ring, making it more reactive than simple acetophenones. This modification also increases the molecule’s polarity compared to unsubstituted propiophenones, improving its solubility in alcohol-based perfumery bases while maintaining good substantivity on skin.
Physical & Chemical Properties
| Boiling Point | 265-267 °C |
|---|---|
| Density | 1.09 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 3% | Oriental and floral bases |
| Soap | 0.1-0.5% | Up to 1% | Stable in alkaline media |
Classic Accords
Tip: Use with ionones to create sophisticated powdery effects that avoid the ‘baby powder’ cliché.
Alternatives & Comparisons
For more pronounced powdery floral character, though less sweet and without the vanillic drydown.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific restrictions under IFRA 49th Amendment.
GHS Classification
RIFM Assessment
Evaluated by RIFM with no significant safety concerns at typical usage levels.
Sustainability
Synthesized from petrochemical precursors with moderate atom economy. No known ecological toxicity concerns, but production requires careful solvent management. Not biodegradable.
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References
- Arctander S. (1969). Perfume and Flavor Chemicals. Steffen Arctander.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 122-84-9Physical Properties
| Molecular Weight | 164.2 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.6🔬 PubChem |
| Boiling Point | 145 °C🔬 EPA CompTox |
| Flash Point | 101.7 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -2.566💻 Calculated |
| SMILES | CC(=O)CC1=CC=C(C=C1)OC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
Odor & Flavor
| Functional Groups | ketoneetheraromatic💻 RDKit |
| “Mild, yet somewhat "gassy" Hawthorne-Anise type odor of good tenacity. It has some resemblance to Methylacetophenone, but is not nearly as harsh or pungent.”📖 Arctander | |
| 1-(p-Methoxyphenyl)-2-propanone has an odor and taste similar to anise.📖 Fenaroli | |
Flavor Notes (Arctander)
| “The subject material is used occasionally in perfumes, but more frequently in flavor compositions. In fruit and imitation Vanilla, sometimes in Walnut or Cherry flavors, it may be used in traces, equivalent to 0.5 to 5 ppm in the finished product.”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 1.8 ppm📖 van Gemert |
Regulatory Status
| FEMA Number | FEMA 2674⚖️ FEMA GRAS |
| GRAS Status | Generally Recognized as Safe⚖️ FEMA GRAS |
| IOFI Classification | Nature Identical📖 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: DTXSID9059545
Physical Properties
| Molecular Weight | 164.204 g/mol🔬 EPA CompTox |
| Density | 1.044 g/cm^3📊 OPERA |
| Boiling Point | 265.125 °C🔬 EPA CTX |
| Melting Point | 46 °C🔬 EPA CTX |
| Flash Point | 101.8 °C🔬 EPA CTX |
| Refractive Index | 1.502 Dimensionless📊 OPERA |
| Molar Volume | 159.88 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.9 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 1.87 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.87 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.8 Log10 unitless📊 OPERA |
| Water Solubility | 0.022 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.009 mmHg📊 OPERA |
| Viscosity | 2.659 cP📊 OPERA |
| Surface Tension | 34.774 dyn/cm📊 OPERA |
| Thermal Conductivity | 145.047 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 | 1 count💻 Computed |
| Molar Refractivity | 47.143 cm^3/mol📊 OPERA |
| Polarizability | 18.689 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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