Acetoin (CAS 513-86-0) — Sweet Top to middle Note Fragrance Ingredient
Acetoin
CAS 513-86-0
What Is Acetoin?
Acetoin is a synthetic fragrance compound that creates creamy, buttery notes in perfumes and flavored products. You’ll encounter it in gourmand fragrances and dairy-flavored foods. This ingredient matters because it bridges sweet and savory olfactory experiences, adding richness without overwhelming sweetness. It’s a key player in creating comforting, edible-inspired scents.
Safety Profile
GENERALLY SAFEWhat Does Acetoin Smell Like?
Acetoin delivers an intensely creamy, buttery aroma with hints of warm yogurt and fresh popcorn. In fragrance compositions, it behaves as a diffusive top note that gradually reveals subtle caramelized sugar facets over time. The dry-down leaves a soft dairy impression that blends seamlessly with vanilla and lactonic notes. When overdosed, it can smell overly buttery – like movie theater popcorn – but in balanced quantities creates a comforting, edible aura.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance the gourmand chestnut and vanilla accord, contributing a subtle buttered toast nuance that makes the smoky wood notes more approachable.
Provides a creamy bridge between the patchouli base and ethyl maltol sweetness, softening the fragrance’s bold contrasts.
2D Molecular Structure
SMILES: CC(O)C(C)=O
Chemistry, Properties & Perfumer Guide
The Chemistry
Acetoin (3-hydroxy-2-butanone) is a hydroxyketone produced via microbial fermentation or chemical synthesis. Industrially, it’s manufactured through partial oxidation of 2,3-butanediol or as a byproduct of glycolysis. The molecule exists as two enantiomers, with the (R)-form being more common in nature. Its ketone and hydroxyl groups make it moderately polar and water-soluble, while the four-carbon backbone provides sufficient volatility for fragrance applications.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | 148 °C |
| Density | 1.016 g/cm³ |
| Refractive Index | 1.417 |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | For creamy accents |
| Candles | 1-3% | Up to 8% | Enhances gourmand effects |
| Flavorings | 10-50 ppm | Up to 100 ppm | Dairy flavor enhancement |
Classic Accords
Tip: Stabilize with antioxidants to prevent oxidative degradation to diacetyl, which has a stronger butter character.
Alternatives & Comparisons
For sharper dairy notes in trace amounts, though much more potent and potentially unpleasant at higher doses.
Provides similar creamy effects but with more pronounced peach/milky character and better longevity.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA. Listed as safe when used within standard industry practices.
GHS Classification
RIFM Assessment
RIFM assessment confirms safe use at current industry levels with no significant sensitization concerns.
Sustainability
Synthetic production from renewable feedstocks like sugarcane is increasingly common, reducing petroleum dependence. The fermentation route has lower environmental impact than chemical synthesis. Biodegradability studies show moderate environmental persistence, warranting proper wastewater treatment in manufacturing.
Explore Acetoin
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References
- Surburg & Panten (2006). Common Fragrance and Flavor Materials. Wiley-VCH. ISBN 978-3-527-31315-0
- Burdock (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 978-1-4200-9086-9
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 513-86-0Physical Properties
| Molecular Weight | 88.11 g/mol🔬 PubChem |
| LogP (Octanol-Water) | -0.3🔬 PubChem |
| Boiling Point | 148 °C🔬 EPA CompTox |
| Vapor Pressure | 2.69 mmHg @ 25°C📊 OPERA |
| Flash Point | 41 °C🔬 EPA CompTox |
| Involatility Index | 0.3089💻 Calculated |
| log Kp (skin permeability) | -3.45💻 Calculated |
| SMILES | CC(C(=O)C)O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Moderate💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | butterycreamy• leffingwell |
| Functional Groups | ketonealcohol💻 RDKit |
| “Intensely creamy-fatty-buttery, penetrating odor, yet milder and less "quinone"-like than”📖 Arctander | |
| Acetoin is a yellowish liquid with a bland, woody, yogurt odor and a fatty creamy “tub” butter taste. It is useful as a flavor ingredient in butter, milk, yogurt or strawberry flavors.📖 Fenaroli | |
Flavor Notes (Arctander)
| “All forms are miscible with water, alcohol, Propylene glycol, Glycerine and common flavor materials. Poorly soluble in hydrocarbons. Dimer forms return to liquid monomer by simple solution, heat, distillation, etc. Mild-creamy flavor in proper dilution, slightly sweet like mild cheese. Tends to decr”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 233.0215 ppm (n=2)📖 van Gemert |
Regulatory Status
| FEMA Number | FEMA 2008⚖️ 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: DTXSID0024399
Physical Properties
| Molecular Weight | 88.106 g/mol🔬 EPA CompTox |
| Density | 1.011 g/cm^3🔬 EPA CTX |
| Boiling Point | 142.98 °C🔬 EPA CTX |
| Melting Point | 15 °C🔬 EPA CTX |
| Flash Point | 45.129 °C🔬 EPA CTX |
| Refractive Index | 1.408 Dimensionless📊 OPERA |
| Molar Volume | 89.565 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | -0.13 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | -0.223 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | -0.228 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.08 Log10 unitless📊 OPERA |
| Water Solubility | 11.35 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 33.598 mmHg🔬 EPA CTX |
| Viscosity | 3.825 cP📊 OPERA |
| Surface Tension | 30.499 dyn/cm📊 OPERA |
| Thermal Conductivity | 161.264 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 37.3 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 22.104 cm^3/mol📊 OPERA |
| Polarizability | 8.763 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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