Furfuryl mercaptan (CAS 98-02-2) — Balsamic Top to middle Note Fragrance Ingredient
Furfuryl mercaptan
CAS 98-02-2
What Is Furfuryl mercaptan?
Furfuryl mercaptan is a potent synthetic aroma chemical primarily used in coffee and roasted food flavorings. Consumers encounter it in specialty coffee products and some savory snacks. This sulfur-containing compound matters because it creates the quintessential ‘freshly brewed coffee’ aroma at extremely low concentrations, making it invaluable for flavor and fragrance authenticity.
Safety Profile
USE WITH AWARENESSWhat Does Furfuryl mercaptan Smell Like?
Furfuryl mercaptan delivers an intensely pungent, roasted coffee character with sulfurous undertones reminiscent of freshly ground espresso beans. The initial burst is sharp and penetrating, evolving into a deep, almost meaty roasted quality. At dilution, it reveals subtle sweet-burnt sugar nuances that blend seamlessly into warm base notes. The dry-down leaves a persistent coffee-like impression with remarkable tenacity despite its volatility.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used minimally to create the fragrance’s controversial coffee-adjacent dark roasted accord, contributing to its infamous ‘black opium’ character alongside cannabis and woody notes.
Provides the authentic espresso burst in this gourmand masculine, blending with vanilla and patchouli to create a wearable coffee fantasy.
2D Molecular Structure
SMILES: SCC1=CC=CO1
Chemistry, Properties & Perfumer Guide
The Chemistry
Furfuryl mercaptan (2-furanmethanethiol) is a heterocyclic thiol derived from furfural, containing both furan and mercaptan functional groups. Industrially produced through the reaction of furfuryl alcohol with hydrogen sulfide or via mercaptanation of furfural. The sulfur group makes it exceptionally potent aromatically, detectable at parts-per-billion concentrations. Its reactivity requires careful handling in formulations to prevent oxidation or unwanted reactions with other fragrance components.
Physical & Chemical Properties
| Boiling Point | 155-157 °C |
|---|---|
| Flash Point | 46 °C |
| Density | 1.131 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.01-0.1% | Up to 0.5% | Extremely powerful – use trace amounts |
| Functional Fragrance | 0.001-0.01% | Up to 0.05% | Coffee flavor reconstitution |
| Home Care | 0.0001-0.001% | Up to 0.01% | Roasted notes in air fresheners |
Classic Accords
Tip: Always pre-dilute to 1% or lower before incorporating into blends due to extreme potency.
Alternatives & Comparisons
Less sulfurous with more meaty character, preferred when a softer roasted effect is desired without dominant coffee notes.
Hydrolyzes slowly to release furfuryl mercaptan, providing controlled release in time-release fragrance systems.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA standards. Listed as GRAS by FEMA (3232).
GHS Classification
RIFM Assessment
RIFM evaluation confirms safe use at current industry levels with proper handling precautions.
Sustainability
Synthetically produced from renewable furfural sources derived from agricultural byproducts like corncobs and sugarcane bagasse. Production requires careful sulfur management to minimize environmental impact. Preferred over natural isolation methods which would be resource-intensive for this trace component.
Explore Furfuryl mercaptan
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References
- Blank et al. (1992). Identification of the Most Odor-Active Volatiles in Freshly Roasted Coffee. Journal of Agricultural and Food Chemistry. DOI:10.1021/jf00021a039
- FEMA (2011). Furfuryl Mercaptan; FEMA No. 3232. Food Technology. FEMA 3232
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID7052654
Physical Properties
| Molecular Weight | 114.16 g/mol🔬 EPA CompTox |
| Density | 1.13 g/cm^3🔬 EPA CTX |
| Boiling Point | 155 °C🔬 EPA CTX |
| Melting Point | 114 °C🔬 EPA CTX |
| Flash Point | 45.075 °C🔬 EPA CTX |
| Refractive Index | 1.524 Dimensionless📊 OPERA |
| Molar Volume | 102.587 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.752 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 1.752 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.701 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 3.65 Log10 unitless📊 OPERA |
| Water Solubility | 0.044 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 2.254 mmHg📊 OPERA |
| Viscosity | 1.484 cP📊 OPERA |
| Surface Tension | 34.734 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 13.14 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 31.365 cm^3/mol📊 OPERA |
| Polarizability | 12.434 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.
