4′-Methylacetophenone (CAS 122-00-9) — Sweet Middle Note Fragrance Ingredient
4'-Methylacetophenone
CAS 122-00-9
What Is 4'-Methylacetophenone?
4′-Methylacetophenone is a synthetic fragrance ingredient with a sweet, floral aroma reminiscent of cherry blossoms and almonds. You’ll encounter it in perfumes, soaps, and flavored products. This versatile molecule adds a soft, powdery sweetness that enhances floral compositions and provides a subtle gourmand quality.
Safety Profile
GENERALLY SAFEWhat Does 4'-Methylacetophenone Smell Like?
4′-Methylacetophenone opens with a bright, cherry-like sweetness that quickly settles into a soft floral heart reminiscent of heliotrope and almond blossoms. The dry-down reveals a powdery, slightly woody character that lingers close to the skin. Imagine biting into a marzipan-filled cherry while standing in an orchard – the effect is sweetly intoxicating yet never cloying. It behaves like a shy cousin to heliotropin, offering similar powdery floralcy but with more restrained sweetness and better blending potential in modern compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to create the delicate cherry blossom illusion, pairing with linalool for a fresh yet powdery floral effect that lasts through the dry-down.
Provides the signature almond-powdery heliotrope character without the regulatory concerns of heliotropin, offering excellent stability in soap bases.
Contributes to the soft, powdery lily-of-the-valley accord, smoothing out the green facets with its sweet floralcy.
Used sparingly to enhance the almond-cherry gourmand aspects of the fragrance, adding subtle sweetness to the woody-amber base.
2D Molecular Structure
SMILES: CC(=O)C1=CC=C(C)C=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
4′-Methylacetophenone is an aromatic ketone belonging to the acetophenone family. Industrially synthesized through Friedel-Crafts acylation of toluene with acetic anhydride, this achiral molecule exhibits excellent stability in alkaline conditions. The methyl group at the para position modifies the electronic properties of the aromatic ring, reducing reactivity compared to unsubstituted acetophenone while maintaining desirable olfactory characteristics.
Physical & Chemical Properties
| Boiling Point | 226-228 °C |
|---|---|
| Melting Point | 28-30 °C |
| Density | 1.001 g/cm³ |
| Refractive Index | 1.533-1.535 |
| Flash Point | 102 °C |
| Solubility | Soluble in ethanol, oils; insoluble in water |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-3% | Up to 5% | As modifier in floral and gourmand accords |
| Soap/Detergent | 0.1-1% | Up to 2% | Provides stable sweet-floral character |
| Flavors | 10-50 ppm | Up to 100 ppm | Cherry-almond nuance in food products |
Classic Accords
Tip: Use with ionones to create photorealistic cherry blossom effects without excessive sweetness.
Alternatives & Comparisons
More intense powdery floral with stronger almond character, but restricted by IFRA (Category 4, 0.8% limit).
Offers similar floral sweetness but lacks the powdery-almond depth, useful when a fresher top note is needed.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted under current IFRA Standards (49th Amendment).
RIFM Assessment
RIFM assessment concludes safe use at current levels based on absence of sensitization potential and low systemic toxicity.
Sustainability
As a petrochemical derivative, 4′-Methylacetophenone’s environmental impact comes primarily from its synthesis process. However, its high odor potency means very small quantities are needed, reducing overall material consumption. The synthetic nature ensures consistent quality and eliminates agricultural impacts associated with natural alternatives like heliotrope extracts.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781420090869
- Arctander, S. (1969). Perfume and Flavor Chemicals. Allured Publishing. ISBN 978-0931710845
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 122-00-9Physical Properties
| Molecular Weight | 134.17 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.1🔬 PubChem |
| Boiling Point | 222 °C🔬 EPA CompTox |
| Vapor Pressure | 0.22 mmHg @ 25°C📊 OPERA |
| Flash Point | 93 °C🔬 EPA CompTox |
| Involatility Index | 0.0205💻 Calculated |
| log Kp (skin permeability) | -2.027💻 Calculated |
| SMILES | CC1=CC=C(C=C1)C(=O)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 1 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | floralfruityhaysweet• leffingwell |
| Functional Groups | ketonearomatic💻 RDKit |
| “Pungent, almost harsh, but warm, sweet and floral odor of moderate tenacity. It resembles the odor of Acetophenone but is not nearly as aggressive or harsh-gassy. The Methyl-derivative is more fruity in the direction of Methylbenzoate, and deep-sweet as Hydroquinone dimethylether.”📖 Arctander | |
| 4'-Methylacetophenone has a fruity, floral odor resembling acetophenone and a sweet, strawberry-like flavor.📖 Fenaroli | |
Flavor Notes (Arctander)
| “Sweet, woody-floral taste, only in extreme dilution becoming fruity, vaguely reminiscent of Strawberry (but Ethyl-acetophenone is far superior in that respect). It finds some use in flavor compositions for imitation Almond, Vanilla and various fruit complexes.”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 0.0119 ppm (n=10)📖 van Gemert |
Regulatory Status
| FEMA Number | FEMA 2677⚖️ 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: DTXSID9044374
Physical Properties
| Molecular Weight | 134.178 g/mol🔬 EPA CompTox |
| Density | 1.005 g/cm^3🔬 EPA CTX |
| Boiling Point | 225.66 °C🔬 EPA CTX |
| Melting Point | 9.278 °C🔬 EPA CTX |
| Flash Point | 94.5 °C🔬 EPA CTX |
| Refractive Index | 1.511 Dimensionless📊 OPERA |
| Molar Volume | 137.239 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.116 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.078 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.078 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.83 Log10 unitless📊 OPERA |
| Water Solubility | 0.003 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 0.305 mmHg🔬 EPA CTX |
| Viscosity | 1.953 cP📊 OPERA |
| Surface Tension | 34.987 dyn/cm📊 OPERA |
| Thermal Conductivity | 134.67 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 17.07 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 41.106 cm^3/mol📊 OPERA |
| Polarizability | 16.296 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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