Methyl furfuryl disulfide (CAS 57500-00-2) — Sweet Heart to base Note Fragrance Ingredient
Methyl furfuryl disulfide
CAS 57500-00-2
What Is Methyl furfuryl disulfide?
Methyl furfuryl disulfide is a synthetic sulfur compound used in fragrance formulations. It’s found in trace amounts in roasted coffee and cooked meats, but perfumers use the pure synthetic version. This molecule matters because it adds savory, roasted nuances to fragrances, creating depth in gourmand and coffee accords.
Safety Profile
USE WITH AWARENESSWhat Does Methyl furfuryl disulfide Smell Like?
Methyl furfuryl disulfide delivers an intense, roasted coffee bean character with sulfury undertones reminiscent of freshly brewed espresso. The top note bursts with dark, almost burnt caramel aspects that evolve into a heart of savory meatiness. In dry-down, it leaves a lingering roasted nut quality. Used at minute concentrations, it adds incredible depth to gourmand compositions, behaving like culinary MSG for perfumery – amplifying surrounding sweet and roasted notes.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the dark coffee and cannabis accord, adding a roasted edge that makes the fragrance smell almost edible yet mysterious.
Provides the authentic roasted coffee bean character that forms the core of this sweet gourmand, blending seamlessly with vanilla and rose.
2D Molecular Structure
SMILES: CSSCC1=CC=CO1
Chemistry, Properties & Perfumer Guide
The Chemistry
Methyl furfuryl disulfide belongs to the organosulfur compound class, specifically a disulfide derivative of furan. While occurring naturally in trace amounts during Maillard reactions (coffee roasting, meat cooking), perfumery uses synthetically produced material for consistency. Synthesis typically involves reacting furfuryl mercaptan with methyl disulfide in controlled conditions. The molecule’s potency comes from its sulfur-furan combination, creating strong odor characteristics at extremely low thresholds.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Odor Threshold | Extremely low (ppb range) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.01-0.1% | Up to 0.5% | Extremely powerful – overdose causes sulfurous off-notes |
Classic Accords
Tip: Always pre-dilute to 1% or lower before incorporating into blends due to extreme potency.
Alternatives & Comparisons
More coffee-forward without the sulfury depth, useful when a cleaner roasted note is desired.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific restrictions under current IFRA standards (as of 48th Amendment).
RIFM Assessment
RIFM has evaluated related furan derivatives but no specific assessment found for this compound.
Sustainability
As a synthetic material, production avoids agricultural impacts but requires controlled chemical synthesis. The extreme potency means minimal quantities are needed per formulation, reducing overall environmental load compared to less potent materials.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 57500-00-2Physical Properties
| Molecular Weight | 160.3 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.5🔬 PubChem |
| Boiling Point | 64 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -2.613💻 Calculated |
| SMILES | CSSCC1=CC=CO1🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
Odor & Flavor
| Primary Descriptors | onionroasted• leffingwell |
| Functional Groups | aromatic💻 RDKit |
| Methyl furfuryl disulfide has a berry, fruity, vegetable flavor. -📖 Fenaroli | |
Sensory Thresholds
| Odor Detection Threshold | 0.1523 ppm (n=4)📖 van Gemert |
Regulatory Status
| 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: DTXSID9069186
Physical Properties
| Molecular Weight | 160.25 g/mol🔬 EPA CompTox |
| Density | 1.181 g/cm^3🔬 EPA CTX |
| Boiling Point | 218.389 °C📊 OPERA |
| Melting Point | 16.448 °C📊 OPERA |
| Flash Point | 84.495 °C📊 OPERA |
| Refractive Index | 1.577 Dimensionless📊 OPERA |
| Molar Volume | 132.984 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.254 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.254 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.254 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.28 Log10 unitless📊 OPERA |
| Water Solubility | 0.014 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.059 mmHg📊 OPERA |
| Surface Tension | 40.046 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 13.14 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 3 count💻 Computed |
| Rotatable Bonds | 3 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 44.096 cm^3/mol📊 OPERA |
| Polarizability | 17.481 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.
