2,3-Hexanedione (CAS 3848-24-6) — Sweet Heart Note Fragrance Ingredient
2,3-Hexanedione
CAS 3848-24-6
What Is 2,3-Hexanedione?
2,3-Hexanedione is a synthetic aroma chemical used to create buttery, creamy notes in fragrances and flavors. You’ll encounter it in dairy-forward perfumes and some gourmand scents. This molecule matters because it delivers authentic butter-like nuances without using actual dairy ingredients, making it vegan-friendly and stable in formulations.
Safety Profile
GENERALLY SAFEWhat Does 2,3-Hexanedione Smell Like?
2,3-Hexanedione bursts with an intensely buttery-diacetyl character, like movie theater popcorn drenched in melted butter. The initial punch evolves into creamy custard nuances with a faint caramelized sugar edge. Unlike simpler butter aromas, it carries subtle green undertones that prevent cloying sweetness. In drydown, it lingers as a soft dairy whisper, blending seamlessly with vanilla and lactonic notes.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used sparingly to enhance the vanilla-amber accord with creamy depth, creating a sophisticated gourmand effect without literal foodiness.
Provides the unexpected buttered toast accord that interacts with citrus and woods for a breakfast-inspired composition.
2D Molecular Structure
SMILES: CCCC(=O)C(C)=O
Chemistry, Properties & Perfumer Guide
The Chemistry
2,3-Hexanedione belongs to the α-diketone class, characterized by two adjacent carbonyl groups. Industrially produced through oxidation of 2,3-hexanediol or condensation of butanal. The planar structure allows strong intermolecular interactions, contributing to its potent aroma. Unlike its simpler analog diacetyl (2,3-butanedione), the extended carbon chain provides greater stability against oxidation while maintaining similar butter-like olfactory properties.
Physical & Chemical Properties
| Boiling Point | 130-132 °C |
|---|---|
| Vapor Pressure | 10.5 mmHg at 25°C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.1-0.5% | Up to 1% | Powerful butter modifier |
| Functional Fragrance | 0.01-0.1% | Up to 0.3% | Dairy cream enhancer |
Classic Accords
Tip: Use below 1% to avoid overwhelming compositions – a few drops can transform a vanilla base into crème brûlée.
Alternatives & Comparisons
More volatile butter note for top notes, but requires greater caution due to respiratory safety concerns.
Milder dairy effect without the intense butter punch, useful for subtle creaminess.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions. Listed on FEMA GRAS #3428 for flavor use.
GHS Classification
RIFM Assessment
RIFM evaluation confirms safe use at current fragrance levels.
Sustainability
Synthesized from petrochemical precursors with relatively low environmental impact due to high potency at low doses. No known natural source, eliminating agricultural concerns. Production waste streams are minimal compared to dairy-derived aroma chemicals.
Explore 2,3-Hexanedione
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781420090772
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID2047066
Physical Properties
| Molecular Weight | 114.144 g/mol🔬 EPA CompTox |
| Density | 0.94 g/cm^3🔬 EPA CTX |
| Boiling Point | 127.926 °C🔬 EPA CTX |
| Melting Point | -30 °C🔬 EPA CTX |
| Flash Point | 28.161 °C🔬 EPA CTX |
| Refractive Index | 1.406 Dimensionless📊 OPERA |
| Molar Volume | 121.816 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 0.414 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 0.414 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 0.414 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 3.73 Log10 unitless📊 OPERA |
| Water Solubility | 0.356 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.5 mmHg🔬 EPA CTX |
| Viscosity | 0.867 cP📊 OPERA |
| Surface Tension | 29.377 dyn/cm📊 OPERA |
| Thermal Conductivity | 150.404 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 34.14 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 3 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 29.905 cm^3/mol📊 OPERA |
| Polarizability | 11.855 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.
