Acetophenone (CAS 98-86-2) — almond top Note Fragrance Ingredient
Acetophenone
CAS 98-86-2
What Is Acetophenone?
Acetophenone is a synthetic fragrance ingredient with a sweet, almond-cherry scent. You’ll encounter it in perfumes, soaps, and even some food flavorings. It’s one of the key molecules that creates the nostalgic ‘cherry cough drop’ aroma. This versatile ingredient bridges fruity and floral notes in fragrances. While not as common as vanilla or citrus scents, it adds a subtle sophistication to many everyday products. Acetophenone matters because it’s a building block for more complex fragrances. Its ability to blend with both floral and woody notes makes it invaluable for perfumers creating balanced compositions.
Safety Profile
USE WITH AWARENESS
What Does Acetophenone Smell Like?
Acetophenone greets the nose with a bright, cherry-like sweetness reminiscent of maraschino liqueur. The initial burst quickly mellows into a soft almond nuance, like the scent left on fingers after shelling fresh nuts. As it evolves, a subtle floral character emerges – imagine cherry blossoms dipped in honey. The dry-down reveals a faintly powdery, almost heliotrope-like quality that lingers close to the skin. Unlike heavier benzaldehyde-based almond notes, acetophenone maintains an airy, transparent quality that prevents it from becoming cloying, making it perfect for modern floral-fruity compositions.
Scent Profile
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Acetophenone provides the candied cherry top note that contrasts with leathery base notes. Its synthetic purity creates the fragrance’s signature ‘plastic cherry’ effect that evolves into sophisticated woodiness.
Here acetophenone blends with liqueur accords to create a boozy cherry effect. The molecule’s almond facet bridges to the fragrance’s tonka bean base, creating seamless transition from top to heart notes.
Used sparingly to brighten the black cherry accord. Acetophenone’s floral undertone helps connect the fruity top to the powdery violet heart in this modern gourmand fragrance.
Forms the core of the synthetic bubble gum accord. Acetophenone’s sweet, slightly plastic character perfectly captures childhood nostalgia without becoming cloying or overly simplistic.
Provides an almond-like nuance that complements the tonka bean. The perfumer used acetophenone’s subtlety to avoid overwhelming the delicate balance of this sophisticated gourmand composition.
2D Molecular Structure
SMILES: CC(=O)C1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Acetophenone is a simple aromatic ketone with the molecular formula C8H8O. Structurally, it consists of a benzene ring bonded to an acetyl group (CH3-CO-). Industrially, it’s primarily produced through the Friedel-Crafts acylation of benzene with acetyl chloride or acetic anhydride. The compound’s relatively low molecular weight (120.15 g/mol) and moderate polarity (XLogP 1.6) contribute to its volatility and solubility profile. While naturally occurring in some foods like apples and cheese, commercial acetophenone is almost exclusively synthetic due to the efficiency of industrial production methods compared to natural extraction.
Physical & Chemical Properties
| Boiling Point | 395.1 °F at 760 mmHg |
|---|---|
| Melting Point | 67.5 °F |
| Flash Point | 180 °F |
| Density | 1.028 at 68 °F |
| Vapor Pressure | 0.39 mmHg |
| Refractive Index | 1.5372 at 20 °C/D |
| Solubility | 6,130 mg/L in water at 25 °C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Used to brighten floral and gourmand accords |
| Functional Fragrance | 0.1-0.5% | Up to 1% | Adds subtle sweetness to soaps and detergents |
| Flavor | 10-50 ppm | Up to 100 ppm | Used in cherry and almond flavorings |
| Industrial | 5-15% | Up to 25% | Solvent and precursor in chemical synthesis |
Classic Accords
+ Cinnamaldehyde + Eugenol = Cherry Pipe Tobacco
+ Heliotropin + Coumarin = Powdery Gourmand
Tip: Use acetophenone to ‘lift’ heavier almond notes – it cuts through dense formulas without adding excessive sweetness.
Alternatives & Comparisons
For stronger almond character, though more volatile and restricted. Lacks acetophenone’s fruity-floral nuance and has sharper top notes.
When more floral (hyacinth-like) character is desired. Less sweet and more diffusive than acetophenone, but requires stabilization in formulas.
For warmer, spicy-cherry effects. Much stronger impact than acetophenone and can dominate blends if not carefully dosed.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. IFRA, REACH, EU Cosmetics Regulation standards update periodically. Consult current IFRA Standards Library before formulating. Not legal or regulatory advice.
IFRA Status
No IFRA restrictions currently apply to acetophenone (as of IFRA 51st Amendment).
GHS Classification
H319 Eye irritation
RIFM Assessment
RIFM has evaluated acetophenone and found it safe for current fragrance use levels with no significant sensitization risk.
Sustainability
As a synthetic material, acetophenone production has minimal environmental impact compared to natural alternatives. Modern manufacturing processes achieve high atom efficiency in its synthesis from benzene derivatives. The compound’s stability ensures long shelf life, reducing waste. While derived from petrochemical feedstocks, its efficient production (typically >90% yield) and low usage levels in fragrances make its carbon footprint relatively small compared to more complex aroma chemicals.
Explore Acetophenone
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Industry & Science Data
References
- PubChem Compound Summary for CID 7410 (Acetophenone) PubChem 7410
- Bickers DR et al. (2005). A toxicologic and dermatologic assessment of aryl alkyl ketones when used as fragrance ingredients. PMID 15919147
- IFRA Standards Library (2022). 51st Amendment. IFRA 51
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Mar 2026.
Ingredient Data Sheet
CAS 98-86-2Physical Properties
| Molecular Weight | 120.15 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.6🔬 PubChem |
| Boiling Point | 201.7 °C🔬 EPA CompTox |
| Vapor Pressure | 0.39 mmHg @ 25°C📊 OPERA |
| Flash Point | 82.2 °C🔬 EPA CompTox |
| Involatility Index | 0.0383💻 Calculated |
| log Kp (skin permeability) | -2.297💻 Calculated |
| SMILES | CC(=O)C1=CC=CC=C1🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | cherrypungentsweet• leffingwell |
| Functional Groups | ketonearomatic💻 RDKit |
| “Pungent-sweet odor, in dilution resembling that of hawthorn or a harsh orange-blossom type. The effect in perfumes is generally a flowery one, coumarin-like, warm, slightly”📖 Arctander | |
| Acetophenone has a characteristic sweet, pungent and strong medicinal odor with a bitter, aromatic cherry branch taste. It is useful in flavors of grape, cherry and tobacco.📖 Fenaroli | |
Flavor Notes (Arctander)
| “animal, powerful. Concentration in perfume oils usually less than 1%. Mostly in low-cost fragrances, particularly for soap, detergents, industrial purposes, etc. Used in trace amounts in flavors for Almond, Cherry, Florals, Fruit, Strawberry, Tea, Tobacco, Tonka, Vanilla, Walnut, etc. G.R.A.S. (1965”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 0.0829 ppm (n=9)📖 van Gemert |
Regulatory Status
| EU Annex III | Listed (restricted)⚖️ IFRA 51 |
| FEMA Number | FEMA 2009⚖️ 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: DTXSID6021828
Physical Properties
| Molecular Weight | 120.151 g/mol🔬 EPA CompTox |
| Density | 1.027 g/cm^3🔬 EPA CTX |
| Boiling Point | 201.987 °C🔬 EPA CTX |
| Melting Point | 19.98 °C🔬 EPA CTX |
| Flash Point | 83.261 °C🔬 EPA CTX |
| Refractive Index | 1.512 Dimensionless📊 OPERA |
| Molar Volume | 120.964 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.964 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 1.608 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.608 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.44 Log10 unitless📊 OPERA |
| Water Solubility | 0.052 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 0.378 mmHg🔬 EPA CTX |
| Viscosity | 1.572 cP📊 OPERA |
| Surface Tension | 36.154 dyn/cm📊 OPERA |
| Thermal Conductivity | 139.433 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 | 36.281 cm^3/mol📊 OPERA |
| Polarizability | 14.383 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.
